smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(/C=C/c1cccs1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000056921497 214395488 /nfs/dbraw/zinc/39/54/88/214395488.db2.gz XMNXLAAELQORLM-LLYBFZRZSA-N 1 2 348.493 2.701 50 0 EFAALO CCC(CC)[C@H](C(=O)Nc1cnc2onc(C)c2c1)[NH+]1CCOCC1 ZINC000266098759 282258268 /nfs/dbraw/zinc/25/82/68/282258268.db2.gz KHSZLPCKQVZVSZ-MRXNPFEDSA-N 1 2 346.431 2.607 50 0 EFAALO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2[nH]nc3c2CCCC3)cc1 ZINC000067473115 215150440 /nfs/dbraw/zinc/15/04/40/215150440.db2.gz CMLONKCXXIIVKJ-OAHLLOKOSA-N 1 2 340.471 2.906 50 0 EFAALO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cc1 ZINC000067473115 215150444 /nfs/dbraw/zinc/15/04/44/215150444.db2.gz CMLONKCXXIIVKJ-OAHLLOKOSA-N 1 2 340.471 2.906 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNc1cc(C(N)=O)ccn1 ZINC000067491046 215155130 /nfs/dbraw/zinc/15/51/30/215155130.db2.gz VVYQHRJISQLITN-UHFFFAOYSA-N 1 2 347.422 2.824 50 0 EFAALO Cc1[nH]c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2[nH+]1 ZINC000040267994 213286128 /nfs/dbraw/zinc/28/61/28/213286128.db2.gz QEYPHKAFLXDJFL-CYBMUJFWSA-N 1 2 334.379 2.863 50 0 EFAALO CCOc1cc(CN2CC[NH+](Cc3ccncc3)CC2)ccc1OC ZINC000019532069 202010493 /nfs/dbraw/zinc/01/04/93/202010493.db2.gz HQUUTDKEZWYKGV-UHFFFAOYSA-N 1 2 341.455 2.807 50 0 EFAALO CCOc1cc(C[NH+]2CCN(Cc3ccncc3)CC2)ccc1OC ZINC000019532069 202010496 /nfs/dbraw/zinc/01/04/96/202010496.db2.gz HQUUTDKEZWYKGV-UHFFFAOYSA-N 1 2 341.455 2.807 50 0 EFAALO Cc1ncc(C(=O)N[C@H](CCn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000019595182 202015708 /nfs/dbraw/zinc/01/57/08/202015708.db2.gz KCMQSWQIGWWJTF-GOSISDBHSA-N 1 2 335.411 2.851 50 0 EFAALO CC(=O)Nc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019770553 202019394 /nfs/dbraw/zinc/01/93/94/202019394.db2.gz YHWFKKKGWXFPER-UHFFFAOYSA-N 1 2 337.423 2.603 50 0 EFAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000019773691 202019504 /nfs/dbraw/zinc/01/95/04/202019504.db2.gz VFGMWLZEKCNTLP-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000019809240 202022743 /nfs/dbraw/zinc/02/27/43/202022743.db2.gz UGILGAVXEGDSKD-UHFFFAOYSA-N 1 2 336.482 2.563 50 0 EFAALO O=C(COc1ccccc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019841708 202024399 /nfs/dbraw/zinc/02/43/99/202024399.db2.gz RVUDJZIJCSOAPW-UHFFFAOYSA-N 1 2 328.387 2.549 50 0 EFAALO c1nc2sc3c(c2c(NCC[NH+]2CCOCC2)n1)CCCCC3 ZINC000019900196 202025294 /nfs/dbraw/zinc/02/52/94/202025294.db2.gz AIZFURKCXXCIDT-UHFFFAOYSA-N 1 2 332.473 2.704 50 0 EFAALO O=C(COc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020149594 202033616 /nfs/dbraw/zinc/03/36/16/202033616.db2.gz QUYBWLZKZHSABQ-JXMROGBWSA-N 1 2 336.435 2.923 50 0 EFAALO O=C(NCC[NH+]1CCOCC1)/C(=C/c1ccccc1)c1ccccc1 ZINC000020234914 202036586 /nfs/dbraw/zinc/03/65/86/202036586.db2.gz LPORVFAGXRTWAS-LVZFUZTISA-N 1 2 336.435 2.676 50 0 EFAALO Clc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cn1 ZINC000020366301 202038704 /nfs/dbraw/zinc/03/87/04/202038704.db2.gz SBXTWRUTXGYSAB-UHFFFAOYSA-N 1 2 345.830 2.782 50 0 EFAALO O=C(Nc1ccc(F)cc1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020436033 202041925 /nfs/dbraw/zinc/04/19/25/202041925.db2.gz RQGFVYHZIAKXLD-UHFFFAOYSA-N 1 2 332.354 2.710 50 0 EFAALO OCC[C@H]1CN(Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1F ZINC000020599384 202050419 /nfs/dbraw/zinc/05/04/19/202050419.db2.gz HFHLJYCBJLBHSO-SFHVURJKSA-N 1 2 344.430 2.600 50 0 EFAALO OCC[C@H]1CN(Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1F ZINC000020599384 202050421 /nfs/dbraw/zinc/05/04/21/202050421.db2.gz HFHLJYCBJLBHSO-SFHVURJKSA-N 1 2 344.430 2.600 50 0 EFAALO Cc1cc(C[NH+]2CCC(Cn3cc(C4CCCC4)nn3)CC2)n[nH]1 ZINC000020599806 202050449 /nfs/dbraw/zinc/05/04/49/202050449.db2.gz RPYNIWAPTTZIRD-UHFFFAOYSA-N 1 2 328.464 2.879 50 0 EFAALO Cc1cc(C)c2c(n1)oc1c2ncnc1SCC[NH+]1CCOCC1 ZINC000020621649 202051747 /nfs/dbraw/zinc/05/17/47/202051747.db2.gz JIULVVSSXPPDOZ-UHFFFAOYSA-N 1 2 344.440 2.812 50 0 EFAALO CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1cc(Cl)ccc1C ZINC000020661977 202052295 /nfs/dbraw/zinc/05/22/95/202052295.db2.gz WWYHMUIALUMYLC-LBPRGKRZSA-N 1 2 331.807 2.960 50 0 EFAALO Cc1ncc(CN2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)s1 ZINC000020993500 202060280 /nfs/dbraw/zinc/06/02/80/202060280.db2.gz GOGQXNGEQKLRTI-HNNXBMFYSA-N 1 2 337.514 2.582 50 0 EFAALO Cc1ncc(CN2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)s1 ZINC000020993500 202060283 /nfs/dbraw/zinc/06/02/83/202060283.db2.gz GOGQXNGEQKLRTI-HNNXBMFYSA-N 1 2 337.514 2.582 50 0 EFAALO Cc1ncc(C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)s1 ZINC000020993500 202060286 /nfs/dbraw/zinc/06/02/86/202060286.db2.gz GOGQXNGEQKLRTI-HNNXBMFYSA-N 1 2 337.514 2.582 50 0 EFAALO Cc1ncc(C[N@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)s1 ZINC000020993500 202060287 /nfs/dbraw/zinc/06/02/87/202060287.db2.gz GOGQXNGEQKLRTI-HNNXBMFYSA-N 1 2 337.514 2.582 50 0 EFAALO Cc1ccc(C[NH+]2CCN(CC(=O)NCCC3=CCCCC3)CC2)o1 ZINC000022751961 202091329 /nfs/dbraw/zinc/09/13/29/202091329.db2.gz BJYCHFLLGAQNBA-UHFFFAOYSA-N 1 2 345.487 2.712 50 0 EFAALO Cc1c(C)n(C[C@H](O)CN2CC[NH+](C)CC2)c2c1cccc2Cl ZINC000028296735 202169706 /nfs/dbraw/zinc/16/97/06/202169706.db2.gz JFXPTKAKYXPXSM-OAHLLOKOSA-N 1 2 335.879 2.520 50 0 EFAALO O=C(NCc1ccco1)c1nc(-c2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000031810642 202210037 /nfs/dbraw/zinc/21/00/37/202210037.db2.gz JKIUXNXRLLYQIM-UHFFFAOYSA-N 1 2 349.350 2.504 50 0 EFAALO COc1ccc(CNc2nc3c(cnn3C)c(N3CCCC3)[nH+]2)cc1 ZINC000032103680 202221897 /nfs/dbraw/zinc/22/18/97/202221897.db2.gz XURSCWPAVUQWST-UHFFFAOYSA-N 1 2 338.415 2.584 50 0 EFAALO Cc1n[nH]c(C)c1CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000193902441 240352663 /nfs/dbraw/zinc/35/26/63/240352663.db2.gz DLZDGYTVRMBHON-UHFFFAOYSA-N 1 2 346.862 2.567 50 0 EFAALO CCc1nc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)sc1C ZINC000072270578 202359415 /nfs/dbraw/zinc/35/94/15/202359415.db2.gz RGEQZXJJKVIVIV-ZDUSSCGKSA-N 1 2 347.488 2.566 50 0 EFAALO CCc1nc(NC(=O)C[N@H+]2CCC[C@H](c3ccnn3C)C2)sc1C ZINC000072270578 202359419 /nfs/dbraw/zinc/35/94/19/202359419.db2.gz RGEQZXJJKVIVIV-ZDUSSCGKSA-N 1 2 347.488 2.566 50 0 EFAALO COc1cccc(C[C@@H]2CCCN2c2ncnc3c2C[N@H+](C)CC3)c1 ZINC000222192615 201033883 /nfs/dbraw/zinc/03/38/83/201033883.db2.gz NXZKLAIQCIKOIB-INIZCTEOSA-N 1 2 338.455 2.685 50 0 EFAALO COc1cccc(C[C@@H]2CCCN2c2ncnc3c2C[N@@H+](C)CC3)c1 ZINC000222192615 201033887 /nfs/dbraw/zinc/03/38/87/201033887.db2.gz NXZKLAIQCIKOIB-INIZCTEOSA-N 1 2 338.455 2.685 50 0 EFAALO Cc1ccc(CN(C)C(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000058227077 201141995 /nfs/dbraw/zinc/14/19/95/201141995.db2.gz KJBTUYCEQUTKDK-UHFFFAOYSA-N 1 2 326.444 2.556 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C)Oc1ccc3c(c1)CCC3)C2 ZINC000065463469 201154333 /nfs/dbraw/zinc/15/43/33/201154333.db2.gz KLPHZYXBSNNVFT-WMLDXEAASA-N 1 2 339.439 2.579 50 0 EFAALO COC(=O)C1CC[NH+](Cc2cc(=O)oc3ccc(Cl)cc23)CC1 ZINC000006668946 201363207 /nfs/dbraw/zinc/36/32/07/201363207.db2.gz UMQWHIALZWCQTO-UHFFFAOYSA-N 1 2 335.787 2.831 50 0 EFAALO CCOC(=O)N1CC[NH+](Cc2cc(=O)oc3c(C)cc(C)cc23)CC1 ZINC000020412473 201370863 /nfs/dbraw/zinc/37/08/63/201370863.db2.gz HDLAXQVPKXRRAJ-UHFFFAOYSA-N 1 2 344.411 2.684 50 0 biogenic EFAALO O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151126802 201390794 /nfs/dbraw/zinc/39/07/94/201390794.db2.gz WVKNHDSXFGCNRM-CQSZACIVSA-N 1 2 338.816 2.577 50 0 EFAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(-c2cccs2)n[nH]1 ZINC000152762624 201392415 /nfs/dbraw/zinc/39/24/15/201392415.db2.gz OIXCWZZAGLFODU-GFCCVEGCSA-N 1 2 339.424 2.542 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1Cc3ccc(C)cc3S1)C2 ZINC000097198049 201380288 /nfs/dbraw/zinc/38/02/88/201380288.db2.gz NXUUBRDAUUXTCU-HOCLYGCPSA-N 1 2 327.453 2.648 50 0 EFAALO CCSc1nc(CC(=O)N(C)CCCc2[nH+]ccn2C)cs1 ZINC000055342559 202689869 /nfs/dbraw/zinc/68/98/69/202689869.db2.gz WCCSJFONKIYLCQ-UHFFFAOYSA-N 1 2 338.502 2.622 50 0 EFAALO CN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000215281300 241117536 /nfs/dbraw/zinc/11/75/36/241117536.db2.gz QSZXEWKMZZQVLH-OAQYLSRUSA-N 1 2 349.478 2.816 50 0 EFAALO COc1ccc(C[N@H+](C)Cc2cc(C)on2)cc1Cn1cccn1 ZINC000215264708 241118147 /nfs/dbraw/zinc/11/81/47/241118147.db2.gz GOKOJVYWPFOSPG-UHFFFAOYSA-N 1 2 326.400 2.868 50 0 EFAALO COc1ccc(C[N@@H+](C)Cc2cc(C)on2)cc1Cn1cccn1 ZINC000215264708 241118153 /nfs/dbraw/zinc/11/81/53/241118153.db2.gz GOKOJVYWPFOSPG-UHFFFAOYSA-N 1 2 326.400 2.868 50 0 EFAALO Cc1cccnc1C[NH+]1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000215390598 241121840 /nfs/dbraw/zinc/12/18/40/241121840.db2.gz IJVSEDGTOBUVAV-UHFFFAOYSA-N 1 2 347.466 2.894 50 0 EFAALO Cc1ccc2[nH]c(CCCNC(=O)[C@@H](C)n3cccn3)[nH+]c2c1C ZINC000219380160 241382894 /nfs/dbraw/zinc/38/28/94/241382894.db2.gz IIPVKSLICXBFLB-CQSZACIVSA-N 1 2 325.416 2.686 50 0 EFAALO O=C(CC1=CSC2=[NH+]CCCN12)N(Cc1ccncc1)C1CC1 ZINC000219940309 241422282 /nfs/dbraw/zinc/42/22/82/241422282.db2.gz UXEQBLNJGCCQKA-UHFFFAOYSA-N 1 2 328.441 2.613 50 0 EFAALO Cc1cccn2c(CC(=O)N[C@@H](c3ccccc3)[C@H]3C[C@@H](O)C3)c[nH+]c12 ZINC000244715881 243064726 /nfs/dbraw/zinc/06/47/26/243064726.db2.gz LDXSRMLCOWMDDH-HQRMLTQVSA-N 1 2 349.434 2.814 50 0 EFAALO C[NH+]1CCC([N@H+](Cc2ccncc2)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000243893742 243030768 /nfs/dbraw/zinc/03/07/68/243030768.db2.gz ATNKCUOJYWOPGB-UHFFFAOYSA-N 1 2 339.439 2.876 50 0 EFAALO C[NH+]1CCC([N@@H+](Cc2ccncc2)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000243893742 243030771 /nfs/dbraw/zinc/03/07/71/243030771.db2.gz ATNKCUOJYWOPGB-UHFFFAOYSA-N 1 2 339.439 2.876 50 0 EFAALO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC000244840278 243087569 /nfs/dbraw/zinc/08/75/69/243087569.db2.gz UKHTYUIOAUGIBX-MRXNPFEDSA-N 1 2 343.471 2.656 50 0 EFAALO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCCN(C(=O)C3CCC3)CC2)c1 ZINC000244840278 243087574 /nfs/dbraw/zinc/08/75/74/243087574.db2.gz UKHTYUIOAUGIBX-MRXNPFEDSA-N 1 2 343.471 2.656 50 0 EFAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)no1 ZINC000244873395 243090849 /nfs/dbraw/zinc/09/08/49/243090849.db2.gz WPRAXJZRMZPUJS-UHFFFAOYSA-N 1 2 343.362 2.583 50 0 EFAALO Cc1cc(NC(=O)C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)no1 ZINC000244873395 243090859 /nfs/dbraw/zinc/09/08/59/243090859.db2.gz WPRAXJZRMZPUJS-UHFFFAOYSA-N 1 2 343.362 2.583 50 0 EFAALO FC(F)(F)[C@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)CCO1 ZINC000071551921 203099971 /nfs/dbraw/zinc/09/99/71/203099971.db2.gz IUCOAFUUWIOCIF-CQSZACIVSA-N 1 2 325.334 2.695 50 0 EFAALO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)[nH]1 ZINC000071682086 203101949 /nfs/dbraw/zinc/10/19/49/203101949.db2.gz CHDLHXVHZHSRNK-ZDUSSCGKSA-N 1 2 338.883 2.993 50 0 EFAALO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)[nH]1 ZINC000071682086 203101953 /nfs/dbraw/zinc/10/19/53/203101953.db2.gz CHDLHXVHZHSRNK-ZDUSSCGKSA-N 1 2 338.883 2.993 50 0 EFAALO CCc1c[nH+]c(C)nc1N1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071661309 203102090 /nfs/dbraw/zinc/10/20/90/203102090.db2.gz OWVOFJKYVNSDIM-KRWDZBQOSA-N 1 2 330.476 2.821 50 0 EFAALO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)[nH]1 ZINC000071682089 203102406 /nfs/dbraw/zinc/10/24/06/203102406.db2.gz CHDLHXVHZHSRNK-CYBMUJFWSA-N 1 2 338.883 2.993 50 0 EFAALO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)[nH]1 ZINC000071682089 203102409 /nfs/dbraw/zinc/10/24/09/203102409.db2.gz CHDLHXVHZHSRNK-CYBMUJFWSA-N 1 2 338.883 2.993 50 0 EFAALO CC[C@@H]1CN(Cc2c[nH+]c(C)[nH]2)CCC(=O)N1Cc1ccccc1 ZINC000071708056 203103727 /nfs/dbraw/zinc/10/37/27/203103727.db2.gz SJEBPOUDNZKGHH-GOSISDBHSA-N 1 2 326.444 2.731 50 0 EFAALO CC[C@H]1CN(Cc2c[nH+]c(C)[nH]2)CCC(=O)N1Cc1ccccc1 ZINC000071708057 203103950 /nfs/dbraw/zinc/10/39/50/203103950.db2.gz SJEBPOUDNZKGHH-SFHVURJKSA-N 1 2 326.444 2.731 50 0 EFAALO O=c1ccc(-c2ccccc2)nn1CCn1cc[nH+]c1-c1ccncc1 ZINC000071747964 203106179 /nfs/dbraw/zinc/10/61/79/203106179.db2.gz LDRAMRMYOOECGE-UHFFFAOYSA-N 1 2 343.390 2.869 50 0 EFAALO CCN1C[C@@H](Cn2cc[nH+]c2-c2cccc(Cn3cccn3)c2)CC1=O ZINC000071752716 203107798 /nfs/dbraw/zinc/10/77/98/203107798.db2.gz CLEBUNNXSLHAGT-KRWDZBQOSA-N 1 2 349.438 2.663 50 0 EFAALO Cc1cc(C)nc(CCn2cc[nH+]c2-c2cnc(N3CCCC3)nc2)n1 ZINC000071752222 203108055 /nfs/dbraw/zinc/10/80/55/203108055.db2.gz GYHQSFRSIFCRRD-UHFFFAOYSA-N 1 2 349.442 2.590 50 0 EFAALO c1cn(Cc2ccc(-n3cncn3)cc2)c(-c2ccc3nonc3c2)[nH+]1 ZINC000071759043 203109334 /nfs/dbraw/zinc/10/93/34/203109334.db2.gz UUIDMIYHIRRPRV-UHFFFAOYSA-N 1 2 343.350 2.715 50 0 EFAALO Cc1cccc2[nH+]c(C3CC[NH+](Cc4c[nH]nc4C(=O)[O-])CC3)[nH]c21 ZINC000071762004 203110834 /nfs/dbraw/zinc/11/08/34/203110834.db2.gz OCZJDLHGPHBDMG-UHFFFAOYSA-N 1 2 339.399 2.672 50 0 EFAALO Cc1cccc2[nH]c(C3CC[NH+](Cc4c[nH]nc4C(=O)[O-])CC3)[nH+]c21 ZINC000071762004 203110838 /nfs/dbraw/zinc/11/08/38/203110838.db2.gz OCZJDLHGPHBDMG-UHFFFAOYSA-N 1 2 339.399 2.672 50 0 EFAALO COc1ccc(NC2(C(=O)N3CCn4c[nH+]cc4C3)CCCC2)cc1 ZINC000072125694 203165018 /nfs/dbraw/zinc/16/50/18/203165018.db2.gz ROIUSNYJMFDXAJ-UHFFFAOYSA-N 1 2 340.427 2.659 50 0 EFAALO CCCc1c[nH+]c(C)nc1N1CC[C@H](Cc2cccc(C(N)=O)c2)C1 ZINC000072130833 203167060 /nfs/dbraw/zinc/16/70/60/203167060.db2.gz UOKFMFFTIDQUFD-MRXNPFEDSA-N 1 2 338.455 2.905 50 0 EFAALO COc1c[nH]c(C[N@@H+]2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)cc1=O ZINC000072138691 203168253 /nfs/dbraw/zinc/16/82/53/203168253.db2.gz GCTPAIDLOBSNMR-HNNXBMFYSA-N 1 2 342.374 2.736 50 0 EFAALO COc1c[nH]c(C[N@H+]2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)cc1=O ZINC000072138691 203168256 /nfs/dbraw/zinc/16/82/56/203168256.db2.gz GCTPAIDLOBSNMR-HNNXBMFYSA-N 1 2 342.374 2.736 50 0 EFAALO CCNc1ncc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cn1 ZINC000072145846 203169800 /nfs/dbraw/zinc/16/98/00/203169800.db2.gz AMTDSUDQOQSLJX-UHFFFAOYSA-N 1 2 343.450 2.755 50 0 EFAALO CCNc1ncc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cn1 ZINC000072145846 203169802 /nfs/dbraw/zinc/16/98/02/203169802.db2.gz AMTDSUDQOQSLJX-UHFFFAOYSA-N 1 2 343.450 2.755 50 0 EFAALO O=C(CSC12CC3CC(CC(C3)C1)C2)N1CCn2c[nH+]cc2C1 ZINC000072162831 203178176 /nfs/dbraw/zinc/17/81/76/203178176.db2.gz YMBCAWLJMKBZLM-UHFFFAOYSA-N 1 2 331.485 2.927 50 0 EFAALO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1noc(-c2ccc(C)cc2)n1 ZINC000072165975 203179904 /nfs/dbraw/zinc/17/99/04/203179904.db2.gz DDHPQWWNNWEONO-QGZVFWFLSA-N 1 2 342.443 2.926 50 0 EFAALO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1noc(-c2ccc(C)cc2)n1 ZINC000072165975 203179907 /nfs/dbraw/zinc/17/99/07/203179907.db2.gz DDHPQWWNNWEONO-QGZVFWFLSA-N 1 2 342.443 2.926 50 0 EFAALO Cc1cc(N2CCC(C(=O)[O-])(n3cc[nH+]c3)CC2)c2ccccc2[nH+]1 ZINC000072436057 203224692 /nfs/dbraw/zinc/22/46/92/203224692.db2.gz RPOUALRXGAIAEY-UHFFFAOYSA-N 1 2 336.395 2.820 50 0 EFAALO CN1CC2(CC[NH+](Cc3nn(C)c4cccc(Cl)c34)CC2)OC1=O ZINC000072458825 203228335 /nfs/dbraw/zinc/22/83/35/203228335.db2.gz ALHSKUVOTBKCJR-UHFFFAOYSA-N 1 2 348.834 2.643 50 0 EFAALO Cc1ccc(CN(C)C(=O)C[C@H]2COCC[N@@H+]2Cc2ccoc2)s1 ZINC000072479717 203232392 /nfs/dbraw/zinc/23/23/92/203232392.db2.gz HUOUIHBTEWNOEL-INIZCTEOSA-N 1 2 348.468 2.899 50 0 EFAALO Cc1ccc(CN(C)C(=O)C[C@H]2COCC[N@H+]2Cc2ccoc2)s1 ZINC000072479717 203232395 /nfs/dbraw/zinc/23/23/95/203232395.db2.gz HUOUIHBTEWNOEL-INIZCTEOSA-N 1 2 348.468 2.899 50 0 EFAALO CCc1nc(C)c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)o1 ZINC000072480401 203232420 /nfs/dbraw/zinc/23/24/20/203232420.db2.gz ZCDOAGACAGOGTN-UHFFFAOYSA-N 1 2 327.428 2.812 50 0 EFAALO CCOc1ccccc1-c1[nH+]ccn1CCNC(=O)c1cccnc1 ZINC000072479885 203232891 /nfs/dbraw/zinc/23/28/91/203232891.db2.gz GFGZYTSGMRCWBX-UHFFFAOYSA-N 1 2 336.395 2.774 50 0 EFAALO CC(C)CC(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072411583 203216801 /nfs/dbraw/zinc/21/68/01/203216801.db2.gz WOQWLQHWMONTNG-INIZCTEOSA-N 1 2 347.507 2.553 50 0 EFAALO CCN1CC2(CC1=O)CC[NH+](Cc1noc(-c3ccccc3)n1)CC2 ZINC000072409780 203217320 /nfs/dbraw/zinc/21/73/20/203217320.db2.gz TVNHHCUMYCJBBH-UHFFFAOYSA-N 1 2 340.427 2.571 50 0 EFAALO COc1ccc(-c2n[nH]cc2CNc2[nH+]cnc3c2c(C)nn3C)cc1 ZINC000072480146 203233195 /nfs/dbraw/zinc/23/31/95/203233195.db2.gz KOUOCYNMEKYRSY-UHFFFAOYSA-N 1 2 349.398 2.683 50 0 EFAALO COc1ccc(-c2[nH+]ccn2CCS(C)(=O)=O)c2ccccc12 ZINC000072429559 203222644 /nfs/dbraw/zinc/22/26/44/203222644.db2.gz NYPIKCXQCILESU-UHFFFAOYSA-N 1 2 330.409 2.757 50 0 EFAALO O=C1CC[C@@]2(CCCN(c3cccc[nH+]3)C2)CN1Cc1ccncc1 ZINC000072430919 203223225 /nfs/dbraw/zinc/22/32/25/203223225.db2.gz WUNWYLUKBTZWAX-HXUWFJFHSA-N 1 2 336.439 2.886 50 0 EFAALO Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1CCc1[nH+]ccn1C ZINC000077299111 203378668 /nfs/dbraw/zinc/37/86/68/203378668.db2.gz CGOZSJRWKUARRR-OAHLLOKOSA-N 1 2 330.432 2.581 50 0 EFAALO CC(C)N1C[C@@]2(CCC[N@H+](Cc3nnc(C4CC4)o3)C2)CCC1=O ZINC000077319104 203379286 /nfs/dbraw/zinc/37/92/86/203379286.db2.gz HMOBYFSIGQMHLI-SFHVURJKSA-N 1 2 332.448 2.560 50 0 EFAALO CC(C)N1C[C@@]2(CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)CCC1=O ZINC000077319104 203379289 /nfs/dbraw/zinc/37/92/89/203379289.db2.gz HMOBYFSIGQMHLI-SFHVURJKSA-N 1 2 332.448 2.560 50 0 EFAALO O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077338797 203381678 /nfs/dbraw/zinc/38/16/78/203381678.db2.gz RMNHJSGPTMTKTD-MRXNPFEDSA-N 1 2 335.411 2.674 50 0 EFAALO CC[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1[nH]cc(C)[nH+]1 ZINC000077358186 203383390 /nfs/dbraw/zinc/38/33/90/203383390.db2.gz SKDMFOKTCGKFRG-CQSZACIVSA-N 1 2 339.399 2.968 50 0 EFAALO O=C(NCCNc1cc(N2CCCC2)nc[nH+]1)c1cccc(Cl)c1 ZINC000077134267 203371585 /nfs/dbraw/zinc/37/15/85/203371585.db2.gz BTCMYIMHIKSIAU-UHFFFAOYSA-N 1 2 345.834 2.572 50 0 EFAALO O=C(NCCNc1cc(N2CCCC2)[nH+]cn1)c1cccc(Cl)c1 ZINC000077134267 203371589 /nfs/dbraw/zinc/37/15/89/203371589.db2.gz BTCMYIMHIKSIAU-UHFFFAOYSA-N 1 2 345.834 2.572 50 0 EFAALO Cn1c(C[NH+]2CCCCC2)nnc1C1CCN(c2nccs2)CC1 ZINC000077454333 203389805 /nfs/dbraw/zinc/38/98/05/203389805.db2.gz MXWGRYPVIUHSTB-UHFFFAOYSA-N 1 2 346.504 2.642 50 0 EFAALO C[C@H](c1ccc(S(C)(=O)=O)cc1)n1cc[nH+]c1-c1ccncc1 ZINC000077489915 203391168 /nfs/dbraw/zinc/39/11/68/203391168.db2.gz FRVUFVUKIBMTER-CYBMUJFWSA-N 1 2 327.409 2.958 50 0 EFAALO O=C([O-])c1cc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2)ccc1O ZINC000077505000 203392481 /nfs/dbraw/zinc/39/24/81/203392481.db2.gz ZKYRCJKPHPSLBE-HNNXBMFYSA-N 1 2 329.400 2.732 50 0 EFAALO O=C([O-])c1cc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2)ccc1O ZINC000077505000 203392483 /nfs/dbraw/zinc/39/24/83/203392483.db2.gz ZKYRCJKPHPSLBE-HNNXBMFYSA-N 1 2 329.400 2.732 50 0 EFAALO O=C(Cc1cccnc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000077520617 203392820 /nfs/dbraw/zinc/39/28/20/203392820.db2.gz SWXBLZKTXJENMJ-UHFFFAOYSA-N 1 2 329.831 2.622 50 0 EFAALO S=c1n(Cc2ccccc2)ccn1C[NH+]1CCC2(CC1)OCCO2 ZINC000019593756 212050256 /nfs/dbraw/zinc/05/02/56/212050256.db2.gz IOHHGWRBLMAFDR-UHFFFAOYSA-N 1 2 345.468 2.864 50 0 EFAALO O=C(c1cccnc1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091382022 203632666 /nfs/dbraw/zinc/63/26/66/203632666.db2.gz DJSRRKCGUOMYQG-UHFFFAOYSA-N 1 2 347.422 2.741 50 0 EFAALO Cc1nc(N2CCC(O)(c3ccccc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426494331 247287845 /nfs/dbraw/zinc/28/78/45/247287845.db2.gz GPHQKYULXBNKAJ-MRXNPFEDSA-N 1 2 339.439 2.777 50 0 EFAALO Cc1nc(N(C)Cc2nc3cc(F)ccc3[nH]2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426496833 247288114 /nfs/dbraw/zinc/28/81/14/247288114.db2.gz HNWBPAPJPGMXQQ-GFCCVEGCSA-N 1 2 341.390 2.941 50 0 EFAALO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cn2ccsc2n1 ZINC000091425479 218003990 /nfs/dbraw/zinc/00/39/90/218003990.db2.gz BUMPJCJKIICMRV-AWEZNQCLSA-N 1 2 337.408 2.764 50 0 EFAALO O=C(OCc1ccccc1)N1CCC[C@@H]1/C=C/C[NH+]1CCOCC1 ZINC000012960042 207267452 /nfs/dbraw/zinc/26/74/52/207267452.db2.gz VHSRKAKCXUMQQR-PYJQOMOHSA-N 1 2 330.428 2.676 50 0 EFAALO O=C(C[C@H](c1ccsc1)n1cccc1)NCCCn1cc[nH+]c1 ZINC000524733126 257842927 /nfs/dbraw/zinc/84/29/27/257842927.db2.gz WYNWZPBWIWSFLY-MRXNPFEDSA-N 1 2 328.441 2.932 50 0 EFAALO Cn1c(-c2ccccc2)cn(CC(=O)c2ccc3c(c2)OCO3)c1=[NH2+] ZINC000334157599 258004497 /nfs/dbraw/zinc/00/44/97/258004497.db2.gz QYHMPDNIVOEHIT-UHFFFAOYSA-N 1 2 335.363 2.585 50 0 EFAALO Cn1c(-c2ccc3c(c2)OCO3)cn(CC(=O)c2ccccc2)c1=[NH2+] ZINC000334157589 258004792 /nfs/dbraw/zinc/00/47/92/258004792.db2.gz PKKCVDOYYQZIAR-UHFFFAOYSA-N 1 2 335.363 2.585 50 0 EFAALO Cc1cccc(C[N@@H+]2CCn3nc(CNc4cnccn4)cc3C2)c1 ZINC000299770662 258083448 /nfs/dbraw/zinc/08/34/48/258083448.db2.gz ULHWFQUFCDIPOK-UHFFFAOYSA-N 1 2 334.427 2.609 50 0 EFAALO Cc1cccc(C[N@H+]2CCn3nc(CNc4cnccn4)cc3C2)c1 ZINC000299770662 258083450 /nfs/dbraw/zinc/08/34/50/258083450.db2.gz ULHWFQUFCDIPOK-UHFFFAOYSA-N 1 2 334.427 2.609 50 0 EFAALO CCc1c(C)nn(CCNc2cc([C@@H]3CCOC3)[nH+]c(C)n2)c1C ZINC000299772675 258084988 /nfs/dbraw/zinc/08/49/88/258084988.db2.gz BDAVAAZCFGESIK-OAHLLOKOSA-N 1 2 329.448 2.777 50 0 EFAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1cc(C)cc(C)c1)C2 ZINC000299786778 258093821 /nfs/dbraw/zinc/09/38/21/258093821.db2.gz NNNSZMYTRKHUCY-UHFFFAOYSA-N 1 2 326.444 2.542 50 0 EFAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1cc(C)cc(C)c1)C2 ZINC000299786778 258093822 /nfs/dbraw/zinc/09/38/22/258093822.db2.gz NNNSZMYTRKHUCY-UHFFFAOYSA-N 1 2 326.444 2.542 50 0 EFAALO Cc1cc(C)c(NC(=O)NCCCc2nnc3ccccn32)c(C)[nH+]1 ZINC000299758105 258076311 /nfs/dbraw/zinc/07/63/11/258076311.db2.gz BYCWVSUDFAZPJI-UHFFFAOYSA-N 1 2 338.415 2.804 50 0 EFAALO CC(=O)c1cc(CC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)cs1 ZINC000299762883 258079298 /nfs/dbraw/zinc/07/92/98/258079298.db2.gz DBUSDKKHHXAWSS-UHFFFAOYSA-N 1 2 344.436 2.958 50 0 EFAALO CC[C@H](C(=O)Nc1nccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000051449966 132181143 /nfs/dbraw/zinc/18/11/43/132181143.db2.gz BGYFAFZTJIWMIJ-OAHLLOKOSA-N 1 2 330.457 2.682 50 0 EFAALO CCC(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945642 132198195 /nfs/dbraw/zinc/19/81/95/132198195.db2.gz IZUVFUPRCUUGLL-QGZVFWFLSA-N 1 2 345.418 2.808 50 0 EFAALO Cc1ccc(N2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@H]2C)cc1 ZINC000013737072 292134735 /nfs/dbraw/zinc/13/47/35/292134735.db2.gz BQRPCRYBKNTYLO-QGZVFWFLSA-N 1 2 329.488 2.954 50 0 EFAALO Cc1ccc(N2CC[N@H+](CC(=O)NC3CCCCC3)C[C@H]2C)cc1 ZINC000013737072 292134737 /nfs/dbraw/zinc/13/47/37/292134737.db2.gz BQRPCRYBKNTYLO-QGZVFWFLSA-N 1 2 329.488 2.954 50 0 EFAALO CC[C@H](CNC(=O)c1cc2cccc(Cl)c2n1C)[NH+]1CCOCC1 ZINC000215686006 276568220 /nfs/dbraw/zinc/56/82/20/276568220.db2.gz WMGJGAYUJUPTKN-CQSZACIVSA-N 1 2 349.862 2.672 50 0 EFAALO CC(C)(C)c1nc(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)no1 ZINC000072158579 277274355 /nfs/dbraw/zinc/27/43/55/277274355.db2.gz XDYWENJFTTVRJP-UHFFFAOYSA-N 1 2 340.427 2.853 50 0 EFAALO CSc1ccc2c(C)cc(N3CC[C@@]4(CC(=O)NC4=O)C3)[nH+]c2c1 ZINC000082086624 278174908 /nfs/dbraw/zinc/17/49/08/278174908.db2.gz VXDBGDLCMIJKSV-GOSISDBHSA-N 1 2 341.436 2.508 50 0 EFAALO C[NH+](C)[C@@H]1CS(=O)(=O)[C@]12CC1c3ccccc3C2c2ccccc21 ZINC000031716341 289336140 /nfs/dbraw/zinc/33/61/40/289336140.db2.gz DHIQQBILTIUGMZ-CQJJOKNBSA-N 1 2 339.460 2.765 50 0 EFAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]31c2ccccc2N(C)C1=O ZINC000020064230 295255630 /nfs/dbraw/zinc/25/56/30/295255630.db2.gz FOTLXRGULOUVND-FQEVSTJZSA-N 1 2 333.391 2.542 50 0 biogenic EFAALO OC1CCN(c2cc[nH+]c(C[C@@H]3CCOc4ccccc4C3)n2)CC1 ZINC000095507316 473215663 /nfs/dbraw/zinc/21/56/63/473215663.db2.gz KSMJCUJANLDPSA-OAHLLOKOSA-N 1 2 339.439 2.622 50 0 EFAALO Cc1cc(C)n(Cc2ccc(N3CCC[C@@]4(CCOC4)C3)[nH+]c2)n1 ZINC000095498331 473213056 /nfs/dbraw/zinc/21/30/56/473213056.db2.gz GLMPMCFHXPGUJT-LJQANCHMSA-N 1 2 326.444 2.950 50 0 EFAALO COCCn1cc[nH+]c1C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000095497016 473213745 /nfs/dbraw/zinc/21/37/45/473213745.db2.gz SWNVPPIQTYWWQP-UHFFFAOYSA-N 1 2 345.418 2.617 50 0 EFAALO CCc1[nH+]c(C)ccc1OCC(=O)NC[C@H]1COc2ccccc2C1 ZINC000095506197 473215882 /nfs/dbraw/zinc/21/58/82/473215882.db2.gz GPMUNBWYQJVOTA-HNNXBMFYSA-N 1 2 340.423 2.699 50 0 EFAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2cc(C(C)C)no2)CC1 ZINC000095508019 473216544 /nfs/dbraw/zinc/21/65/44/473216544.db2.gz MDSRZGZYONWIKG-UHFFFAOYSA-N 1 2 346.431 2.661 50 0 EFAALO Cn1cccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095508876 473216663 /nfs/dbraw/zinc/21/66/63/473216663.db2.gz DLQXVFWTYUSBOQ-QGZVFWFLSA-N 1 2 349.438 2.685 50 0 EFAALO 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212269016 /nfs/dbraw/zinc/26/90/16/212269016.db2.gz VHSVSGAXQVPWMA-DHDCSXOGSA-N 1 2 346.408 2.895 50 0 EFAALO O=C(NC[C@H]1Cc2ccccc2CO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225784298 242033698 /nfs/dbraw/zinc/03/36/98/242033698.db2.gz LTWVUPZGQOIXDK-HXUWFJFHSA-N 1 2 347.418 2.803 50 0 EFAALO COc1cccc(CC(=O)NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000020911532 212185567 /nfs/dbraw/zinc/18/55/67/212185567.db2.gz HMJAPUSSIWLJEK-UHFFFAOYSA-N 1 2 335.407 2.799 50 0 EFAALO C[N@@H+](CC(=O)Nc1nc(C(C)(C)C)cs1)C[C@H]1CCCCO1 ZINC000244700854 243061250 /nfs/dbraw/zinc/06/12/50/243061250.db2.gz JVFZXXXIPICZTL-GFCCVEGCSA-N 1 2 325.478 2.880 50 0 EFAALO C[N@H+](CC(=O)Nc1nc(C(C)(C)C)cs1)C[C@H]1CCCCO1 ZINC000244700854 243061255 /nfs/dbraw/zinc/06/12/55/243061255.db2.gz JVFZXXXIPICZTL-GFCCVEGCSA-N 1 2 325.478 2.880 50 0 EFAALO COc1c[nH]c(C[N@@H+]2CCN(c3ccccc3OC)C[C@H]2C)cc1=O ZINC000244619937 243045443 /nfs/dbraw/zinc/04/54/43/243045443.db2.gz FIVFUZOWFXIGFG-CQSZACIVSA-N 1 2 343.427 2.515 50 0 EFAALO COc1c[nH]c(C[N@H+]2CCN(c3ccccc3OC)C[C@H]2C)cc1=O ZINC000244619937 243045450 /nfs/dbraw/zinc/04/54/50/243045450.db2.gz FIVFUZOWFXIGFG-CQSZACIVSA-N 1 2 343.427 2.515 50 0 EFAALO CC(=O)c1c(C)nn([C@@H](C)CC(=O)NCc2c[nH+]c(C)cc2C)c1C ZINC000244633186 243046495 /nfs/dbraw/zinc/04/64/95/243046495.db2.gz FYQPFHPBLWDBJM-ZDUSSCGKSA-N 1 2 342.443 2.982 50 0 EFAALO CCn1nc(CO)c2c1CCN(Cc1c[nH+]cn1C1CCCCC1)C2 ZINC000244659758 243049633 /nfs/dbraw/zinc/04/96/33/243049633.db2.gz HIFMVZVMRFJAAA-UHFFFAOYSA-N 1 2 343.475 2.655 50 0 EFAALO Cc1cc(C[NH+]2CCN(c3nccc(-c4ccccc4)n3)CC2)on1 ZINC000244701005 243059482 /nfs/dbraw/zinc/05/94/82/243059482.db2.gz JYFOPCUTLSSBSN-UHFFFAOYSA-N 1 2 335.411 2.762 50 0 EFAALO Cc1nnc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc(F)ccc2F)[nH]1 ZINC000244773706 243075314 /nfs/dbraw/zinc/07/53/14/243075314.db2.gz PEYSPUNIDRYESZ-CQSZACIVSA-N 1 2 335.358 2.557 50 0 EFAALO Cc1nnc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc(F)ccc2F)[nH]1 ZINC000244773706 243075321 /nfs/dbraw/zinc/07/53/21/243075321.db2.gz PEYSPUNIDRYESZ-CQSZACIVSA-N 1 2 335.358 2.557 50 0 EFAALO CC[C@H](NC(=O)CCc1[nH]c2cc(C)c(C)cc2[nH+]1)[C@H]1C[C@H](O)C1 ZINC000244794851 243084539 /nfs/dbraw/zinc/08/45/39/243084539.db2.gz QVCKJMSIXJYNED-KKUMJFAQSA-N 1 2 329.444 2.778 50 0 EFAALO CC[N@@H+](Cc1noc(C2CCCC2)n1)C[C@@H](O)c1cccc(O)c1 ZINC000244811704 243085977 /nfs/dbraw/zinc/08/59/77/243085977.db2.gz SJOONJOCHLYQEV-MRXNPFEDSA-N 1 2 331.416 2.988 50 0 EFAALO CC[N@H+](Cc1noc(C2CCCC2)n1)C[C@@H](O)c1cccc(O)c1 ZINC000244811704 243085983 /nfs/dbraw/zinc/08/59/83/243085983.db2.gz SJOONJOCHLYQEV-MRXNPFEDSA-N 1 2 331.416 2.988 50 0 EFAALO CC[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1c(C)nn(CC)c1C ZINC000244828602 243089294 /nfs/dbraw/zinc/08/92/94/243089294.db2.gz TZEPMFQYCCNAHD-INIZCTEOSA-N 1 2 329.448 2.936 50 0 EFAALO CC[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1c(C)nn(CC)c1C ZINC000244828602 243089297 /nfs/dbraw/zinc/08/92/97/243089297.db2.gz TZEPMFQYCCNAHD-INIZCTEOSA-N 1 2 329.448 2.936 50 0 EFAALO COc1cc(C)ccc1OCC[N@@H+]1CCN(C2CCCCC2)C(=O)C1 ZINC000244874649 243094593 /nfs/dbraw/zinc/09/45/93/243094593.db2.gz XEYWEXSRWBDONV-UHFFFAOYSA-N 1 2 346.471 2.859 50 0 EFAALO COc1cc(C)ccc1OCC[N@H+]1CCN(C2CCCCC2)C(=O)C1 ZINC000244874649 243094596 /nfs/dbraw/zinc/09/45/96/243094596.db2.gz XEYWEXSRWBDONV-UHFFFAOYSA-N 1 2 346.471 2.859 50 0 EFAALO C[C@@H](c1ccncn1)[N@H+](C)CC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000244874489 243094707 /nfs/dbraw/zinc/09/47/07/243094707.db2.gz XCGKFBPBTDWQAZ-NSHDSACASA-N 1 2 333.461 2.862 50 0 EFAALO C[C@@H](c1ccncn1)[N@@H+](C)CC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000244874489 243094713 /nfs/dbraw/zinc/09/47/13/243094713.db2.gz XCGKFBPBTDWQAZ-NSHDSACASA-N 1 2 333.461 2.862 50 0 EFAALO O=c1[nH]c(=S)[nH]c(O)c1[C@H]1[NH2+]CCc2c3cc(Cl)ccc3[nH]c21 ZINC000020759757 212169369 /nfs/dbraw/zinc/16/93/69/212169369.db2.gz JUVBSRQOLFUIMA-GFCCVEGCSA-N 1 2 348.815 2.508 50 0 biogenic EFAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1 ZINC000020508738 212141675 /nfs/dbraw/zinc/14/16/75/212141675.db2.gz YTGMMGVEBMMASN-JXMROGBWSA-N 1 2 335.451 2.956 50 0 EFAALO OCC[C@@H]1CN(Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1F ZINC000020452121 212130567 /nfs/dbraw/zinc/13/05/67/212130567.db2.gz JPHGAGROYYVGLI-GOSISDBHSA-N 1 2 344.430 2.600 50 0 EFAALO OCC[C@@H]1CN(Cc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1F ZINC000020452121 212130570 /nfs/dbraw/zinc/13/05/70/212130570.db2.gz JPHGAGROYYVGLI-GOSISDBHSA-N 1 2 344.430 2.600 50 0 EFAALO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020418625 212127149 /nfs/dbraw/zinc/12/71/49/212127149.db2.gz VYJVMJYIOORTMD-UHFFFAOYSA-N 1 2 336.482 2.563 50 0 EFAALO CCn1c2ccccc2n(C[C@@H](O)COc2ccccc2C)c1=[NH2+] ZINC000020288998 212116834 /nfs/dbraw/zinc/11/68/34/212116834.db2.gz MOXRGWGGTGMNCJ-OAHLLOKOSA-N 1 2 325.412 2.690 50 0 EFAALO Cc1noc(C)c1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020294741 212116898 /nfs/dbraw/zinc/11/68/98/212116898.db2.gz OVMXRGACOAOOBK-RMKNXTFCSA-N 1 2 325.412 2.763 50 0 EFAALO CCOc1ccc(CC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000020176441 212109969 /nfs/dbraw/zinc/10/99/69/212109969.db2.gz QFSYKKLQOBIOMQ-UHFFFAOYSA-N 1 2 328.412 2.565 50 0 EFAALO O=C(C1CCCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019939840 212088795 /nfs/dbraw/zinc/08/87/95/212088795.db2.gz LYHYUIYDIWJOFS-UHFFFAOYSA-N 1 2 330.428 2.640 50 0 EFAALO CC[NH+]1CCN([C@H](C)CS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000019826710 212073100 /nfs/dbraw/zinc/07/31/00/212073100.db2.gz WAINWPWSMKCZRH-MRXNPFEDSA-N 1 2 346.496 2.640 50 0 EFAALO CC(C)(C)c1ccc(CC[C@@H]2OC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC000019799100 212070382 /nfs/dbraw/zinc/07/03/82/212070382.db2.gz PMSZKNSSEIHHKV-RBUKOAKNSA-N 1 2 333.472 2.990 50 0 EFAALO CCCc1[nH]c([C@H]2CC(=O)N(CCOC)C2)[nH+]c1-c1ccccc1 ZINC000019787155 212066369 /nfs/dbraw/zinc/06/63/69/212066369.db2.gz IEQONFBJGTWLTM-HNNXBMFYSA-N 1 2 327.428 2.992 50 0 EFAALO COc1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(OC)c1OC ZINC000019781994 212066231 /nfs/dbraw/zinc/06/62/31/212066231.db2.gz RHXQSEUKWPWGBE-UHFFFAOYSA-N 1 2 346.427 2.623 50 0 EFAALO COc1ccccc1C[N@@H+]1CCN(Cc2cccs2)[C@@H](CCO)C1 ZINC000019771414 212063467 /nfs/dbraw/zinc/06/34/67/212063467.db2.gz ZROCGUGVUSBMIB-KRWDZBQOSA-N 1 2 346.496 2.826 50 0 EFAALO COc1ccccc1C[N@H+]1CCN(Cc2cccs2)[C@@H](CCO)C1 ZINC000019771414 212063469 /nfs/dbraw/zinc/06/34/69/212063469.db2.gz ZROCGUGVUSBMIB-KRWDZBQOSA-N 1 2 346.496 2.826 50 0 EFAALO Cn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2)c1=[NH2+] ZINC000019733337 212057880 /nfs/dbraw/zinc/05/78/80/212057880.db2.gz HVLSVLXQWSCKRE-CYBMUJFWSA-N 1 2 331.803 2.553 50 0 EFAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000019567341 212044544 /nfs/dbraw/zinc/04/45/44/212044544.db2.gz AZZVAMRMYPPEOP-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 EFAALO COc1cc(C(=O)N2CC[NH+]=C2c2ccccc2)cc(OC)c1OC ZINC000019549556 212041455 /nfs/dbraw/zinc/04/14/55/212041455.db2.gz ACJVNSBPPNKAIB-UHFFFAOYSA-N 1 2 340.379 2.615 50 0 EFAALO COc1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019365160 212020855 /nfs/dbraw/zinc/02/08/55/212020855.db2.gz HIOVFUOGTLZEDY-UHFFFAOYSA-N 1 2 340.423 2.742 50 0 biogenic EFAALO O=C(NCC[NH+]1CCOCC1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344976 217299399 /nfs/dbraw/zinc/29/93/99/217299399.db2.gz HTRAKACYRBBFDW-GJZGRUSLSA-N 1 2 343.254 2.545 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)C1CCOCC1 ZINC000014955023 211777335 /nfs/dbraw/zinc/77/73/35/211777335.db2.gz IBQBRSZEJOZLOY-UHFFFAOYSA-N 1 2 339.439 2.761 50 0 EFAALO Cc1cn2cc(C(=O)NCCc3nc4c(s3)CCC4)ccc2[nH+]1 ZINC000082096323 217463336 /nfs/dbraw/zinc/46/33/36/217463336.db2.gz ZTXKKXKXSJIJPH-UHFFFAOYSA-N 1 2 326.425 2.560 50 0 EFAALO O=C(NCc1ccco1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082156842 217479572 /nfs/dbraw/zinc/47/95/72/217479572.db2.gz WDSQQZWKVBUSLM-HNNXBMFYSA-N 1 2 328.416 2.975 50 0 EFAALO OCCn1ccc([C@@H]2CCCN(c3cc(C(F)(F)F)cc[nH+]3)C2)n1 ZINC000426399329 247275592 /nfs/dbraw/zinc/27/55/92/247275592.db2.gz BVUAOXAXGUJJFG-GFCCVEGCSA-N 1 2 340.349 2.673 50 0 EFAALO Cn1cc(SCC(=O)N2CCn3c[nH+]cc3C2)c2ccccc21 ZINC000426409474 247278358 /nfs/dbraw/zinc/27/83/58/247278358.db2.gz RPVTXLFBQZSVMT-UHFFFAOYSA-N 1 2 326.425 2.509 50 0 EFAALO C[N@@H+]1CCc2n[nH]c(C(=O)N3C[C@H](c4ccccc4)C(C)(C)C3)c2C1 ZINC000426508121 247291101 /nfs/dbraw/zinc/29/11/01/247291101.db2.gz QRTUVQPBLBFJRH-MRXNPFEDSA-N 1 2 338.455 2.663 50 0 EFAALO C[N@H+]1CCc2n[nH]c(C(=O)N3C[C@H](c4ccccc4)C(C)(C)C3)c2C1 ZINC000426508121 247291106 /nfs/dbraw/zinc/29/11/06/247291106.db2.gz QRTUVQPBLBFJRH-MRXNPFEDSA-N 1 2 338.455 2.663 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@H]1CCCO1 ZINC000012473128 211389650 /nfs/dbraw/zinc/38/96/50/211389650.db2.gz BDPRHPYGRWOBSG-KRWDZBQOSA-N 1 2 325.412 2.513 50 0 EFAALO Cc1nc(-c2ccccc2F)sc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000012323927 211347353 /nfs/dbraw/zinc/34/73/53/211347353.db2.gz YYHKBRZKJSEDGM-UHFFFAOYSA-N 1 2 330.388 2.953 50 0 EFAALO Cc1nc(-c2ccccc2F)sc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000012323927 211347355 /nfs/dbraw/zinc/34/73/55/211347355.db2.gz YYHKBRZKJSEDGM-UHFFFAOYSA-N 1 2 330.388 2.953 50 0 EFAALO Cc1cccc(C)c1OCc1cc(C(=O)NCc2[nH+]ccn2C)no1 ZINC000012317134 211345251 /nfs/dbraw/zinc/34/52/51/211345251.db2.gz OWMBCOKNMPAOOS-UHFFFAOYSA-N 1 2 340.383 2.534 50 0 EFAALO COC(=O)c1ccc(-c2noc(C[N@H+](C)C[C@@H]3CCCCO3)n2)cc1 ZINC000012192723 211315518 /nfs/dbraw/zinc/31/55/18/211315518.db2.gz XHKMGWFLXFVFQG-HNNXBMFYSA-N 1 2 345.399 2.524 50 0 EFAALO COC(=O)c1ccc(-c2noc(C[N@@H+](C)C[C@@H]3CCCCO3)n2)cc1 ZINC000012192723 211315521 /nfs/dbraw/zinc/31/55/21/211315521.db2.gz XHKMGWFLXFVFQG-HNNXBMFYSA-N 1 2 345.399 2.524 50 0 EFAALO CCCn1cc[nH+]c1CNC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000091381290 218000389 /nfs/dbraw/zinc/00/03/89/218000389.db2.gz KNDNWPLPYCGFEX-UHFFFAOYSA-N 1 2 339.399 2.622 50 0 EFAALO O=C(c1ccncc1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091624563 218033306 /nfs/dbraw/zinc/03/33/06/218033306.db2.gz DYOSVTHJGWQJCI-KRWDZBQOSA-N 1 2 347.422 2.741 50 0 EFAALO CC(C)=CC[C@@]1(CO)CCCN(c2ccc(CNC(C)=O)c[nH+]2)C1 ZINC000091519190 218017257 /nfs/dbraw/zinc/01/72/57/218017257.db2.gz XZFRXGISBVRDNZ-IBGZPJMESA-N 1 2 331.460 2.653 50 0 EFAALO COCc1cc(C[N@H+](C)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)[nH]n1 ZINC000091575526 218024514 /nfs/dbraw/zinc/02/45/14/218024514.db2.gz JMVADOGOORYUCF-UHFFFAOYSA-N 1 2 340.427 2.646 50 0 EFAALO COCc1cc(C[N@@H+](C)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)[nH]n1 ZINC000091575526 218024517 /nfs/dbraw/zinc/02/45/17/218024517.db2.gz JMVADOGOORYUCF-UHFFFAOYSA-N 1 2 340.427 2.646 50 0 EFAALO Nc1nc2c(s1)C[N@H+](Cc1cc(=O)c3cccc(F)c3[nH]1)CC2 ZINC000091643307 218036658 /nfs/dbraw/zinc/03/66/58/218036658.db2.gz VVLBOQMKYLSDSK-UHFFFAOYSA-N 1 2 330.388 2.677 50 0 EFAALO Nc1nc2c(s1)C[N@@H+](Cc1cc(=O)c3cccc(F)c3[nH]1)CC2 ZINC000091643307 218036659 /nfs/dbraw/zinc/03/66/59/218036659.db2.gz VVLBOQMKYLSDSK-UHFFFAOYSA-N 1 2 330.388 2.677 50 0 EFAALO Cn1cccc1C(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091645687 218039268 /nfs/dbraw/zinc/03/92/68/218039268.db2.gz WYLGFMBIDUMZLB-UHFFFAOYSA-N 1 2 349.438 2.685 50 0 EFAALO O=C(c1ncccc1O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091736479 218056190 /nfs/dbraw/zinc/05/61/90/218056190.db2.gz JMFOHXKGYLELQG-UHFFFAOYSA-N 1 2 340.427 2.804 50 0 EFAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1cn(CC2CCCCC2)nn1 ZINC000011664308 211232701 /nfs/dbraw/zinc/23/27/01/211232701.db2.gz NYFXMGUGGUPYSN-UHFFFAOYSA-N 1 2 344.463 2.643 50 0 EFAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000091747042 218059601 /nfs/dbraw/zinc/05/96/01/218059601.db2.gz NFVFFJLINSLVLJ-MRXNPFEDSA-N 1 2 326.444 2.989 50 0 EFAALO CC[N@H+](C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C ZINC000011663474 211228916 /nfs/dbraw/zinc/22/89/16/211228916.db2.gz UGCNTARPBGBDID-UHFFFAOYSA-N 1 2 349.500 2.965 50 0 EFAALO CC[N@@H+](C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C ZINC000011663474 211228922 /nfs/dbraw/zinc/22/89/22/211228922.db2.gz UGCNTARPBGBDID-UHFFFAOYSA-N 1 2 349.500 2.965 50 0 EFAALO CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000091943598 218092356 /nfs/dbraw/zinc/09/23/56/218092356.db2.gz JLPUSJZDWODVPY-MRXNPFEDSA-N 1 2 332.444 2.505 50 0 EFAALO CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000091943598 218092358 /nfs/dbraw/zinc/09/23/58/218092358.db2.gz JLPUSJZDWODVPY-MRXNPFEDSA-N 1 2 332.444 2.505 50 0 EFAALO COCCc1nc([C@@H]2CCCC[N@@H+]2C)n(Cc2ccc(C)cc2)n1 ZINC000091997744 218100609 /nfs/dbraw/zinc/10/06/09/218100609.db2.gz ISPNCUGRUNJKOO-KRWDZBQOSA-N 1 2 328.460 2.981 50 0 EFAALO COCCc1nc([C@@H]2CCCC[N@H+]2C)n(Cc2ccc(C)cc2)n1 ZINC000091997744 218100611 /nfs/dbraw/zinc/10/06/11/218100611.db2.gz ISPNCUGRUNJKOO-KRWDZBQOSA-N 1 2 328.460 2.981 50 0 EFAALO COCCn1cc[nH+]c1C1CCN(C(=O)CCc2cccs2)CC1 ZINC000091951059 218094003 /nfs/dbraw/zinc/09/40/03/218094003.db2.gz JHMKSAMQRHZREI-UHFFFAOYSA-N 1 2 347.484 2.930 50 0 EFAALO CCCc1c[nH+]c(C)nc1N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000092065646 218113586 /nfs/dbraw/zinc/11/35/86/218113586.db2.gz NGRHOFOEYFPDFX-HXUWFJFHSA-N 1 2 342.487 2.966 50 0 EFAALO O=C(NCCc1c[nH+]c[nH]1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000009421087 211081572 /nfs/dbraw/zinc/08/15/72/211081572.db2.gz MKATZUHUIKSOFM-UHFFFAOYSA-N 1 2 337.408 2.783 50 0 EFAALO O=C(NCCc1c[nH]c[nH+]1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000009421087 211081577 /nfs/dbraw/zinc/08/15/77/211081577.db2.gz MKATZUHUIKSOFM-UHFFFAOYSA-N 1 2 337.408 2.783 50 0 EFAALO CNc1nc(C[C@H]2COc3cc(OC)ccc3C2)[nH+]c2c1CCC2 ZINC000095366530 218299342 /nfs/dbraw/zinc/29/93/42/218299342.db2.gz ZLPHTPSCBZCIOF-LBPRGKRZSA-N 1 2 325.412 2.809 50 0 EFAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N(C)Cc1noc(C)n1 ZINC000095367457 218300172 /nfs/dbraw/zinc/30/01/72/218300172.db2.gz SVRZPUGRDWVJNT-CQSZACIVSA-N 1 2 341.415 2.900 50 0 EFAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N(C)Cc1noc(C)n1 ZINC000095367456 218300680 /nfs/dbraw/zinc/30/06/80/218300680.db2.gz SVRZPUGRDWVJNT-AWEZNQCLSA-N 1 2 341.415 2.900 50 0 EFAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cncnc2C)C1 ZINC000095363849 218296528 /nfs/dbraw/zinc/29/65/28/218296528.db2.gz LPVWXBITXGGZRN-HNNXBMFYSA-N 1 2 327.432 2.801 50 0 EFAALO C[NH+](C)[C@@H](C(=O)N1CC(Oc2ccccc2F)C1)c1ccccc1F ZINC000095374731 218308287 /nfs/dbraw/zinc/30/82/87/218308287.db2.gz HWVSYUKTQGRPIV-GOSISDBHSA-N 1 2 346.377 2.857 50 0 EFAALO O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N1CCc2[nH]c[nH+]c2C1 ZINC000095376844 218309667 /nfs/dbraw/zinc/30/96/67/218309667.db2.gz RDRGNKMBKOYXOR-UHFFFAOYSA-N 1 2 348.406 2.542 50 0 EFAALO O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)N1CCc2[nH+]c[nH]c2C1 ZINC000095376844 218309670 /nfs/dbraw/zinc/30/96/70/218309670.db2.gz RDRGNKMBKOYXOR-UHFFFAOYSA-N 1 2 348.406 2.542 50 0 EFAALO CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000095391645 218322652 /nfs/dbraw/zinc/32/26/52/218322652.db2.gz JCYOSRCNCACYQW-KRWDZBQOSA-N 1 2 330.407 2.688 50 0 EFAALO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1F)c1ccsc1 ZINC000008896403 211015241 /nfs/dbraw/zinc/01/52/41/211015241.db2.gz JIGZIJGZFMICGG-ZDUSSCGKSA-N 1 2 346.424 2.608 50 0 EFAALO CC(C)Cc1cc(CNC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)on1 ZINC000095386760 218317848 /nfs/dbraw/zinc/31/78/48/218317848.db2.gz MRLUVIHKHZKVRR-SFHVURJKSA-N 1 2 327.428 2.546 50 0 EFAALO CC(C)Cc1cc(CNC(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)on1 ZINC000095386760 218317850 /nfs/dbraw/zinc/31/78/50/218317850.db2.gz MRLUVIHKHZKVRR-SFHVURJKSA-N 1 2 327.428 2.546 50 0 EFAALO Cn1ccc2ccc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)cc21 ZINC000095478956 218410912 /nfs/dbraw/zinc/41/09/12/218410912.db2.gz HLUIPCHDFHLIJD-UHFFFAOYSA-N 1 2 348.450 2.574 50 0 EFAALO O=C1C[C@H](c2ccc(-n3cc[nH+]c3)cc2)c2c(nc3ccccn32)CN1 ZINC000065365963 284846140 /nfs/dbraw/zinc/84/61/40/284846140.db2.gz HMJLUELSPZZLFK-MRXNPFEDSA-N 1 2 343.390 2.672 50 0 EFAALO Cc1c(Cl)cc(Cl)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000006667940 210674235 /nfs/dbraw/zinc/67/42/35/210674235.db2.gz XBJCZUXMRMVGMK-UHFFFAOYSA-N 1 2 348.255 2.867 50 0 EFAALO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(-c2cccs2)n[nH]1 ZINC000152762509 224008966 /nfs/dbraw/zinc/00/89/66/224008966.db2.gz OIXCWZZAGLFODU-LBPRGKRZSA-N 1 2 339.424 2.542 50 0 EFAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-n2cccc2)cc1 ZINC000153107740 224059100 /nfs/dbraw/zinc/05/91/00/224059100.db2.gz DFIYBQJYSGSJGJ-QGZVFWFLSA-N 1 2 332.407 2.881 50 0 EFAALO O=C(c1cccc(Br)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000005062509 210380158 /nfs/dbraw/zinc/38/01/58/210380158.db2.gz WPPKEPPTZDEWGC-UHFFFAOYSA-N 1 2 346.228 2.807 50 0 EFAALO CCN(Cc1cnn(CC)c1)C(=O)[C@@H](c1ccccc1F)[NH+](C)C ZINC000091756815 285126847 /nfs/dbraw/zinc/12/68/47/285126847.db2.gz VPNVVWDTFXHDPI-QGZVFWFLSA-N 1 2 332.423 2.694 50 0 EFAALO CC(C)c1nnsc1CNC(=O)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000097272418 219008218 /nfs/dbraw/zinc/00/82/18/219008218.db2.gz NFUGQBQLUIRDMI-INIZCTEOSA-N 1 2 345.472 2.510 50 0 EFAALO CCn1cc[nH+]c1C1CCN(C(=O)c2nn(C)c3c2CCCC3)CC1 ZINC000097360065 219014344 /nfs/dbraw/zinc/01/43/44/219014344.db2.gz PPYAJRXMALBDQC-UHFFFAOYSA-N 1 2 341.459 2.535 50 0 EFAALO O=C(CCc1ccncc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097446861 219025708 /nfs/dbraw/zinc/02/57/08/219025708.db2.gz JRHJUEJNPYJLFO-QPJJXVBHSA-N 1 2 335.451 2.872 50 0 EFAALO Cc1cc(C)n([C@H](C)CNC(=O)c2cnc(C[NH+]3CCCC3)s2)n1 ZINC000097514954 219032897 /nfs/dbraw/zinc/03/28/97/219032897.db2.gz RDTZQGGQXCRVJS-CQSZACIVSA-N 1 2 347.488 2.543 50 0 EFAALO COC(=O)C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCCC1 ZINC000004770164 210273803 /nfs/dbraw/zinc/27/38/03/210273803.db2.gz XQWSOOJTIAEFKK-LBPRGKRZSA-N 1 2 345.226 2.959 50 0 EFAALO O=C(NCc1c[nH+]cn1C1CC1)c1nc2ccc(Cl)cn2c1F ZINC000426436531 257968154 /nfs/dbraw/zinc/96/81/54/257968154.db2.gz IDNRZPAVBDYABS-UHFFFAOYSA-N 1 2 333.754 2.588 50 0 EFAALO Cc1csc([C@H](C)CNC(=O)CC2=CSC3=[NH+]CCCN23)n1 ZINC000299777229 258087120 /nfs/dbraw/zinc/08/71/20/258087120.db2.gz BKAMBKBVNUGDEG-SNVBAGLBSA-N 1 2 336.486 2.711 50 0 EFAALO Cc1csc([C@@H](C)CNC(=O)CC2=CSC3=[NH+]CCCN23)n1 ZINC000299777228 258087130 /nfs/dbraw/zinc/08/71/30/258087130.db2.gz BKAMBKBVNUGDEG-JTQLQIEISA-N 1 2 336.486 2.711 50 0 EFAALO CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)c1[nH+]ccn1C ZINC000299778443 258088568 /nfs/dbraw/zinc/08/85/68/258088568.db2.gz HICNJMCYEOOEBB-OAHLLOKOSA-N 1 2 330.388 2.710 50 0 EFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1nn(C)c2c1CCCC2)c1ccccc1 ZINC000299782954 258091025 /nfs/dbraw/zinc/09/10/25/258091025.db2.gz NQNUDNZGQDLZAU-KRWDZBQOSA-N 1 2 349.438 2.552 50 0 EFAALO CSc1ccc2c(c1)CCN(C(=O)C[N@H+](C)Cc1cccnc1)C2 ZINC000299795045 258099639 /nfs/dbraw/zinc/09/96/39/258099639.db2.gz KNEXXCCIYLPDMD-UHFFFAOYSA-N 1 2 341.480 2.820 50 0 EFAALO CSc1ccc2c(c1)CCN(C(=O)C[N@@H+](C)Cc1cccnc1)C2 ZINC000299795045 258099640 /nfs/dbraw/zinc/09/96/40/258099640.db2.gz KNEXXCCIYLPDMD-UHFFFAOYSA-N 1 2 341.480 2.820 50 0 EFAALO COCc1nc(NCc2c[nH+]c(C)cc2C)cc([C@@H]2CCOC2)n1 ZINC000299801763 258104603 /nfs/dbraw/zinc/10/46/03/258104603.db2.gz YUOPXVXSKMIUOJ-CQSZACIVSA-N 1 2 328.416 2.751 50 0 EFAALO COCc1nc(NCc2c[nH+]c(C)cc2C)cc([C@H]2CCOC2)n1 ZINC000299801761 258104880 /nfs/dbraw/zinc/10/48/80/258104880.db2.gz YUOPXVXSKMIUOJ-AWEZNQCLSA-N 1 2 328.416 2.751 50 0 EFAALO CC[C@H](NC(=O)C[N@@H+]1CCOc2ccccc2C1)c1cc(C)ccn1 ZINC000299765099 258080201 /nfs/dbraw/zinc/08/02/01/258080201.db2.gz VKOJVIWVCIZCOK-KRWDZBQOSA-N 1 2 339.439 2.852 50 0 EFAALO CC[C@H](NC(=O)C[N@H+]1CCOc2ccccc2C1)c1cc(C)ccn1 ZINC000299765099 258080202 /nfs/dbraw/zinc/08/02/02/258080202.db2.gz VKOJVIWVCIZCOK-KRWDZBQOSA-N 1 2 339.439 2.852 50 0 EFAALO C[C@H](CC(=O)NC1CCN(c2ccccc2F)CC1)n1cc[nH+]c1 ZINC000299765246 258080388 /nfs/dbraw/zinc/08/03/88/258080388.db2.gz DGBHKENLCSKYQZ-CQSZACIVSA-N 1 2 330.407 2.759 50 0 EFAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000055062795 132193512 /nfs/dbraw/zinc/19/35/12/132193512.db2.gz SAKDIDTVJGRDDK-UHFFFAOYSA-N 1 2 339.439 2.846 50 0 EFAALO Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055561935 132195913 /nfs/dbraw/zinc/19/59/13/132195913.db2.gz YKCPEPSFHXLFHI-UHFFFAOYSA-N 1 2 327.403 2.895 50 0 EFAALO COC(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945679 132198313 /nfs/dbraw/zinc/19/83/13/132198313.db2.gz IDZRZJLYHOXBGY-MRXNPFEDSA-N 1 2 347.390 2.638 50 0 EFAALO Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018254694 135713492 /nfs/dbraw/zinc/71/34/92/135713492.db2.gz FOBFJXVWYLSSLA-UHFFFAOYSA-N 1 2 345.830 2.771 50 0 EFAALO Cc1ccc(N2CC[N@@H+](CC(=O)NC3CCCCC3)C[C@@H]2C)cc1 ZINC000013737074 292134694 /nfs/dbraw/zinc/13/46/94/292134694.db2.gz BQRPCRYBKNTYLO-KRWDZBQOSA-N 1 2 329.488 2.954 50 0 EFAALO Cc1ccc(N2CC[N@H+](CC(=O)NC3CCCCC3)C[C@@H]2C)cc1 ZINC000013737074 292134695 /nfs/dbraw/zinc/13/46/95/292134695.db2.gz BQRPCRYBKNTYLO-KRWDZBQOSA-N 1 2 329.488 2.954 50 0 EFAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccco1)[N@H+](C)CC3)OCO2 ZINC000020111748 286188670 /nfs/dbraw/zinc/18/86/70/286188670.db2.gz LIPLYILYLZINQK-LBPRGKRZSA-N 1 2 329.352 2.819 50 0 biogenic EFAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccco1)[N@@H+](C)CC3)OCO2 ZINC000020111748 286188671 /nfs/dbraw/zinc/18/86/71/286188671.db2.gz LIPLYILYLZINQK-LBPRGKRZSA-N 1 2 329.352 2.819 50 0 biogenic EFAALO Brc1ccc(C[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000019537486 275712335 /nfs/dbraw/zinc/71/23/35/275712335.db2.gz JNJVQOAEMFYDPW-UHFFFAOYSA-N 1 2 339.262 2.623 50 0 EFAALO C[N@@H+]1CCc2c(sc3ncn4nc(Cc5ccccc5)nc4c23)C1 ZINC000020548669 277187303 /nfs/dbraw/zinc/18/73/03/277187303.db2.gz SJJLOQAPDLXPRT-UHFFFAOYSA-N 1 2 335.436 2.918 50 0 EFAALO C[N@H+]1CCc2c(sc3ncn4nc(Cc5ccccc5)nc4c23)C1 ZINC000020548669 277187304 /nfs/dbraw/zinc/18/73/04/277187304.db2.gz SJJLOQAPDLXPRT-UHFFFAOYSA-N 1 2 335.436 2.918 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1Cc3ccc(C)cc3S1)C2 ZINC000097198047 279001300 /nfs/dbraw/zinc/00/13/00/279001300.db2.gz NXUUBRDAUUXTCU-ZBFHGGJFSA-N 1 2 327.453 2.648 50 0 EFAALO CCc1c(C)[nH+]c(C)nc1N1CCC2(CCC(=O)N(CC)C2)CC1 ZINC000091663838 281368539 /nfs/dbraw/zinc/36/85/39/281368539.db2.gz HKNBANKYLXIYMM-UHFFFAOYSA-N 1 2 330.476 2.885 50 0 EFAALO O=C(c1ccc[nH]1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095387637 304544591 /nfs/dbraw/zinc/54/45/91/304544591.db2.gz XTFJVNFVXBBJPG-CYBMUJFWSA-N 1 2 341.440 2.736 50 0 EFAALO Cc1ccc2nc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cn2c1 ZINC000091650126 301924851 /nfs/dbraw/zinc/92/48/51/301924851.db2.gz AOKPOHUGSQTGPH-OAHLLOKOSA-N 1 2 325.416 2.684 50 0 EFAALO Cc1nc(C(=O)NCCc2c[nH+]c[nH]2)c(-c2ccc(F)cc2)s1 ZINC000095473758 473211598 /nfs/dbraw/zinc/21/15/98/473211598.db2.gz PMUSRKOYPAHDLG-UHFFFAOYSA-N 1 2 330.388 2.953 50 0 EFAALO Cc1nc(C(=O)NCCc2c[nH]c[nH+]2)c(-c2ccc(F)cc2)s1 ZINC000095473758 473211601 /nfs/dbraw/zinc/21/16/01/473211601.db2.gz PMUSRKOYPAHDLG-UHFFFAOYSA-N 1 2 330.388 2.953 50 0 EFAALO CN(Cc1noc2c1CCCC2)C(=O)[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000095522880 473220480 /nfs/dbraw/zinc/22/04/80/473220480.db2.gz GPHUDYQCSUKRTQ-GOSISDBHSA-N 1 2 339.439 2.569 50 0 EFAALO CN(Cc1noc2c1CCCC2)C(=O)[C@H]1Cc2ccccc2C[N@H+]1C ZINC000095522880 473220483 /nfs/dbraw/zinc/22/04/83/473220483.db2.gz GPHUDYQCSUKRTQ-GOSISDBHSA-N 1 2 339.439 2.569 50 0 EFAALO CCN(Cc1c[nH+]c2ccccn12)S(=O)(=O)c1ccc(C)s1 ZINC000096025091 473257357 /nfs/dbraw/zinc/25/73/57/473257357.db2.gz WQWQSDWVTIPUQA-UHFFFAOYSA-N 1 2 335.454 2.915 50 0 EFAALO CC(C)N1C[C@H](n2cc[nH+]c2-c2ccccc2Cn2cccn2)CC1=O ZINC000082087603 473285751 /nfs/dbraw/zinc/28/57/51/473285751.db2.gz FYWPRYPCQRNCGK-QGZVFWFLSA-N 1 2 349.438 2.977 50 0 EFAALO COCCC(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000082098622 473288055 /nfs/dbraw/zinc/28/80/55/473288055.db2.gz GSMNOZXOVPNXRI-UHFFFAOYSA-N 1 2 327.428 2.674 50 0 EFAALO O=C(Nc1cc(-n2cc[nH+]c2)ncn1)c1cccc(C(F)(F)F)c1 ZINC000096097993 473294725 /nfs/dbraw/zinc/29/47/25/473294725.db2.gz WXSFVBAXSJHHSU-UHFFFAOYSA-N 1 2 333.273 2.933 50 0 EFAALO C[NH+](C)Cc1nnc(C2CCN(C(=O)C3CCCC3)CC2)n1C1CC1 ZINC000082167236 473297782 /nfs/dbraw/zinc/29/77/82/473297782.db2.gz VUEOAJWODBESSW-UHFFFAOYSA-N 1 2 345.491 2.571 50 0 EFAALO O=C(NCCNc1cc(N2CCCC2)nc[nH+]1)c1ccccc1Cl ZINC000082230401 473299740 /nfs/dbraw/zinc/29/97/40/473299740.db2.gz UIUJETSWIGWNMB-UHFFFAOYSA-N 1 2 345.834 2.572 50 0 EFAALO O=C(NCCNc1cc(N2CCCC2)[nH+]cn1)c1ccccc1Cl ZINC000082230401 473299744 /nfs/dbraw/zinc/29/97/44/473299744.db2.gz UIUJETSWIGWNMB-UHFFFAOYSA-N 1 2 345.834 2.572 50 0 EFAALO Cc1nn(C)c2nc(N3CC[NH+](Cc4ccc(F)cc4)CC3)sc12 ZINC000096132620 473309017 /nfs/dbraw/zinc/30/90/17/473309017.db2.gz CMTAWNOBYQNHSI-UHFFFAOYSA-N 1 2 345.447 2.800 50 0 EFAALO CNC(=O)CCc1ccccc1NC(=O)NCc1c[nH+]c(C)cc1C ZINC000096138938 473310667 /nfs/dbraw/zinc/31/06/67/473310667.db2.gz NWEQKEDHCQBTJD-UHFFFAOYSA-N 1 2 340.427 2.699 50 0 EFAALO CC[C@H](NC(=O)Nc1ccc(OC)c(NC(C)=O)c1)c1[nH]cc(C)[nH+]1 ZINC000096141549 473313261 /nfs/dbraw/zinc/31/32/61/473313261.db2.gz BAQNEOLRONCXCS-ZDUSSCGKSA-N 1 2 345.403 2.958 50 0 EFAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1[nH]nc2c1CCCC2 ZINC000096163994 473321291 /nfs/dbraw/zinc/32/12/91/473321291.db2.gz CDLUMVGBHNNKLM-QGZVFWFLSA-N 1 2 343.475 2.649 50 0 EFAALO CC(=O)c1ccc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000000211181 471336319 /nfs/dbraw/zinc/33/63/19/471336319.db2.gz ZCAZCKQJTNGNQY-UHFFFAOYSA-N 1 2 338.407 2.940 50 0 EFAALO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1O ZINC000000293660 471343810 /nfs/dbraw/zinc/34/38/10/471343810.db2.gz PLFGRBPWZRSCHW-UHFFFAOYSA-N 1 2 329.396 2.976 50 0 biogenic EFAALO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1O ZINC000000293660 471343816 /nfs/dbraw/zinc/34/38/16/471343816.db2.gz PLFGRBPWZRSCHW-UHFFFAOYSA-N 1 2 329.396 2.976 50 0 biogenic EFAALO O=S(=O)(NCCCn1cc[nH+]c1)c1cc(Cl)ccc1Cl ZINC000001794267 471397551 /nfs/dbraw/zinc/39/75/51/471397551.db2.gz PHMIKARVMAMENH-UHFFFAOYSA-N 1 2 334.228 2.559 50 0 EFAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1Cl ZINC000002522056 471409528 /nfs/dbraw/zinc/40/95/28/471409528.db2.gz RINKKBGOUNGMAZ-UHFFFAOYSA-N 1 2 344.846 2.804 50 0 EFAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000002731392 471419006 /nfs/dbraw/zinc/41/90/06/471419006.db2.gz JPZHQAKFRHPURY-UHFFFAOYSA-N 1 2 338.835 2.862 50 0 EFAALO Cc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)c(C)c1 ZINC000002961153 471428543 /nfs/dbraw/zinc/42/85/43/471428543.db2.gz DUKOFCKTDZDTQI-UHFFFAOYSA-N 1 2 343.452 2.781 50 0 EFAALO Cc1ccn2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)[nH+]c2c1 ZINC000002961133 471428880 /nfs/dbraw/zinc/42/88/80/471428880.db2.gz LWRORMFTNYNFMC-UHFFFAOYSA-N 1 2 349.843 2.817 50 0 EFAALO Cc1nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2s1 ZINC000004272385 471463126 /nfs/dbraw/zinc/46/31/26/471463126.db2.gz TXTDIRCTNNMOAZ-UHFFFAOYSA-N 1 2 338.436 2.962 50 0 EFAALO Cc1ccc2c(cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)n2C)c1 ZINC000004711982 471472195 /nfs/dbraw/zinc/47/21/95/471472195.db2.gz JRZNTCIMKSHEBL-UHFFFAOYSA-N 1 2 334.423 2.844 50 0 EFAALO O=C1N(C[NH+]2CCCCC2)c2ccccc2C12O[C@@H]1CCCC[C@H]1O2 ZINC000004717580 471472397 /nfs/dbraw/zinc/47/23/97/471472397.db2.gz ZEWKAUOVAMQTRW-QZTJIDSGSA-N 1 2 342.439 2.987 50 0 EFAALO Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004832509 471476037 /nfs/dbraw/zinc/47/60/37/471476037.db2.gz KHNPMHSKHAJMKS-MRXNPFEDSA-N 1 2 325.412 2.506 50 0 EFAALO CC(=O)c1cccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000005041996 471484819 /nfs/dbraw/zinc/48/48/19/471484819.db2.gz XYLQJQJMDUACDA-UHFFFAOYSA-N 1 2 340.452 2.803 50 0 EFAALO O=C(c1cc2c(s1)CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000005778102 471520651 /nfs/dbraw/zinc/52/06/51/471520651.db2.gz BKLVCIRMZMVXDC-UHFFFAOYSA-N 1 2 327.453 2.984 50 0 EFAALO CCC(=O)Nc1ccc2c(c1)[nH+]c(CCn1nc(C)cc1C)n2C ZINC000006665073 471558990 /nfs/dbraw/zinc/55/89/90/471558990.db2.gz LOYRVNIRYRQGKK-UHFFFAOYSA-N 1 2 325.416 2.978 50 0 EFAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCC[C@@H](C)C2)nc1 ZINC000011818985 471760448 /nfs/dbraw/zinc/76/04/48/471760448.db2.gz XWVANYLKAADVIS-OAHLLOKOSA-N 1 2 341.459 2.714 50 0 EFAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(Br)cn1 ZINC000013322831 471824869 /nfs/dbraw/zinc/82/48/69/471824869.db2.gz FYDQOVAAMGUEKX-UHFFFAOYSA-N 1 2 346.228 2.841 50 0 EFAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(Br)cn1 ZINC000013322831 471824876 /nfs/dbraw/zinc/82/48/76/471824876.db2.gz FYDQOVAAMGUEKX-UHFFFAOYSA-N 1 2 346.228 2.841 50 0 EFAALO Ic1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000013284758 471824947 /nfs/dbraw/zinc/82/49/47/471824947.db2.gz SGFWNZQTFUHIRU-UHFFFAOYSA-N 1 2 328.153 2.957 50 0 EFAALO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000013324357 471826557 /nfs/dbraw/zinc/82/65/57/471826557.db2.gz QSVWAUAYOCNLAE-UHFFFAOYSA-N 1 2 340.427 2.830 50 0 EFAALO Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000013331692 471826670 /nfs/dbraw/zinc/82/66/70/471826670.db2.gz KBYZQCUGNCCBJZ-KRWDZBQOSA-N 1 2 339.439 2.815 50 0 EFAALO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000013636849 471836697 /nfs/dbraw/zinc/83/66/97/471836697.db2.gz ULSRKYASAQDDBX-UHFFFAOYSA-N 1 2 348.309 2.527 50 0 EFAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1CCc1ccccc1 ZINC000013688431 471839207 /nfs/dbraw/zinc/83/92/07/471839207.db2.gz CNMUEXYTOPNWFO-UHFFFAOYSA-N 1 2 338.451 2.534 50 0 EFAALO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCn1cc[nH+]c1 ZINC000013997887 471846674 /nfs/dbraw/zinc/84/66/74/471846674.db2.gz CDFNBFMPALPKJI-UHFFFAOYSA-N 1 2 348.255 2.700 50 0 EFAALO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000015062697 471887883 /nfs/dbraw/zinc/88/78/83/471887883.db2.gz YBWSFRMYVLMUHG-HNNXBMFYSA-N 1 2 347.390 2.752 50 0 EFAALO COC(=O)[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000015062697 471887888 /nfs/dbraw/zinc/88/78/88/471887888.db2.gz YBWSFRMYVLMUHG-HNNXBMFYSA-N 1 2 347.390 2.752 50 0 EFAALO CC(C)C[C@@H]([NH3+])c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000016007476 471923717 /nfs/dbraw/zinc/92/37/17/471923717.db2.gz YGHRFBCEZSBPAV-GFCCVEGCSA-N 1 2 343.836 2.743 50 0 EFAALO Cn1ccc(NC(=S)N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000017072645 471956366 /nfs/dbraw/zinc/95/63/66/471956366.db2.gz IFDSBZIMTCEBMD-UHFFFAOYSA-N 1 2 349.891 2.588 50 0 EFAALO O=C(COc1cccc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000018220268 471973319 /nfs/dbraw/zinc/97/33/19/471973319.db2.gz PDVBYTQOBHJZJU-UHFFFAOYSA-N 1 2 347.418 2.962 50 0 EFAALO CCC[NH+]1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC000034858703 471992001 /nfs/dbraw/zinc/99/20/01/471992001.db2.gz GRLHDMKVZHPUCI-UHFFFAOYSA-N 1 2 338.517 2.945 50 0 EFAALO Nc1cc(N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)[nH+]cn1 ZINC000067696403 472073704 /nfs/dbraw/zinc/07/37/04/472073704.db2.gz GQJUGADASXYKML-HNNXBMFYSA-N 1 2 334.427 2.757 50 0 EFAALO CCN(C)c1cc[nH+]c(N2CCN(Cc3cc(F)ccc3F)CC2)n1 ZINC000067850638 472098817 /nfs/dbraw/zinc/09/88/17/472098817.db2.gz XSDOOZOXEBOHAX-UHFFFAOYSA-N 1 2 347.413 2.533 50 0 EFAALO CCCc1c[nH+]c(C)nc1N1CCC2(CC1)CCC(=O)N(C)CC2 ZINC000067850493 472099171 /nfs/dbraw/zinc/09/91/71/472099171.db2.gz QVRNWEBINOJASH-UHFFFAOYSA-N 1 2 330.476 2.966 50 0 EFAALO COc1ccc2[nH]c(Cn3cnc4cc(F)c(F)cc4c3=O)[nH+]c2c1 ZINC000043131439 472201835 /nfs/dbraw/zinc/20/18/35/472201835.db2.gz IFJPVCYCZXFLHC-UHFFFAOYSA-N 1 2 342.305 2.608 50 0 EFAALO Cc1c(C)n(C[C@@H](O)CN2CC[NH+](C)CC2)c2c1cccc2Cl ZINC000028296737 472221389 /nfs/dbraw/zinc/22/13/89/472221389.db2.gz JFXPTKAKYXPXSM-HNNXBMFYSA-N 1 2 335.879 2.520 50 0 EFAALO Cc1nnsc1C(=O)NCCCn1cc[nH+]c1-c1ccccc1 ZINC000085554999 472255514 /nfs/dbraw/zinc/25/55/14/472255514.db2.gz BBCZXMPHBSIJMW-UHFFFAOYSA-N 1 2 327.413 2.530 50 0 EFAALO CCOC(=O)CCC(=O)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000086071839 472272638 /nfs/dbraw/zinc/27/26/38/472272638.db2.gz JCODNAJBLULYDL-UHFFFAOYSA-N 1 2 327.384 2.778 50 0 EFAALO O=C(NCCc1ccccc1)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043976440 472277278 /nfs/dbraw/zinc/27/72/78/472277278.db2.gz FSMORGRBMXQRLS-UHFFFAOYSA-N 1 2 338.455 2.840 50 0 EFAALO COc1ccc2[nH]c(Cn3cnc4cc(Cl)ccc4c3=O)[nH+]c2c1 ZINC000032561793 472443352 /nfs/dbraw/zinc/44/33/52/472443352.db2.gz HBKBYXIAUQSICT-UHFFFAOYSA-N 1 2 340.770 2.983 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1nc(-c3cccs3)oc1C)C2 ZINC000097198907 472475530 /nfs/dbraw/zinc/47/55/30/472475530.db2.gz YZYJJLICDREDKV-LBPRGKRZSA-N 1 2 342.424 2.961 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1(c3cccc(F)c3)CCC1)C2 ZINC000097199236 472475758 /nfs/dbraw/zinc/47/57/58/472475758.db2.gz IGROXVZROPUENN-MRXNPFEDSA-N 1 2 327.403 2.884 50 0 EFAALO COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097213243 472480678 /nfs/dbraw/zinc/48/06/78/472480678.db2.gz NLQUEGUDYHHHDU-SFHVURJKSA-N 1 2 336.395 2.727 50 0 EFAALO COCc1cc(-c2[nH+]ccn2C[C@@H](O)C(F)(F)F)ccc1OC ZINC000077303744 472496292 /nfs/dbraw/zinc/49/62/92/472496292.db2.gz NUJBZLUOUVXFJM-CYBMUJFWSA-N 1 2 330.306 2.628 50 0 EFAALO Cc1cc(C)n(-c2ccc(C(=O)N3CCCn4c[nH+]cc4C3)cc2)n1 ZINC000077297983 472497527 /nfs/dbraw/zinc/49/75/27/472497527.db2.gz CPNVSPZERITHQH-UHFFFAOYSA-N 1 2 335.411 2.732 50 0 EFAALO CCn1cc[nH+]c1C1CCN(C(=O)Cc2cn3ccsc3n2)CC1 ZINC000097529020 472498947 /nfs/dbraw/zinc/49/89/47/472498947.db2.gz LQPLXHMDPOJJBM-UHFFFAOYSA-N 1 2 343.456 2.561 50 0 EFAALO COc1cc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccn1 ZINC000077339618 472507775 /nfs/dbraw/zinc/50/77/75/472507775.db2.gz BEUPSGWOGYUMOZ-UHFFFAOYSA-N 1 2 345.830 2.702 50 0 EFAALO Cc1nn2c(nc(C[N@@H+]3CCCCC[C@H]3c3ccco3)cc2=O)[nH]1 ZINC000077385239 472517499 /nfs/dbraw/zinc/51/74/99/472517499.db2.gz OHSHQTFJPVAQNO-AWEZNQCLSA-N 1 2 327.388 2.849 50 0 EFAALO Cc1nn2c(nc(C[N@H+]3CCCCC[C@H]3c3ccco3)cc2=O)[nH]1 ZINC000077385239 472517501 /nfs/dbraw/zinc/51/75/01/472517501.db2.gz OHSHQTFJPVAQNO-AWEZNQCLSA-N 1 2 327.388 2.849 50 0 EFAALO Fc1ccc(-c2noc(C[NH+]3CCC(c4ccn[nH]4)CC3)n2)cc1 ZINC000058226018 472522722 /nfs/dbraw/zinc/52/27/22/472522722.db2.gz ULXQFKQWKVVWTH-UHFFFAOYSA-N 1 2 327.363 2.978 50 0 EFAALO Cn1c(C[NH+](C)C)nnc1C1CCN(C(=O)C2CCCCCC2)CC1 ZINC000077407141 472522802 /nfs/dbraw/zinc/52/28/02/472522802.db2.gz KILIXYSXCAWQKX-UHFFFAOYSA-N 1 2 347.507 2.553 50 0 EFAALO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058267241 472529292 /nfs/dbraw/zinc/52/92/92/472529292.db2.gz BAVTXAOQMXAFGP-HNNXBMFYSA-N 1 2 338.455 2.957 50 0 EFAALO Cc1ccc(OC[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000077457689 472531276 /nfs/dbraw/zinc/53/12/76/472531276.db2.gz UKWDQIQHEAIBEB-KRWDZBQOSA-N 1 2 327.428 2.899 50 0 EFAALO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000077457661 472531542 /nfs/dbraw/zinc/53/15/42/472531542.db2.gz SOCDHSVMFVXKEH-GFCCVEGCSA-N 1 2 349.381 2.802 50 0 EFAALO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000077457661 472531547 /nfs/dbraw/zinc/53/15/47/472531547.db2.gz SOCDHSVMFVXKEH-GFCCVEGCSA-N 1 2 349.381 2.802 50 0 EFAALO C[N@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc2c(c1)OCCO2 ZINC000077470108 472532194 /nfs/dbraw/zinc/53/21/94/472532194.db2.gz IQNYFTISJDOBAW-UHFFFAOYSA-N 1 2 338.367 2.535 50 0 EFAALO C[N@@H+](Cc1nc(-c2ccccn2)no1)Cc1ccc2c(c1)OCCO2 ZINC000077470108 472532200 /nfs/dbraw/zinc/53/22/00/472532200.db2.gz IQNYFTISJDOBAW-UHFFFAOYSA-N 1 2 338.367 2.535 50 0 EFAALO CCCCC(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077487250 472536387 /nfs/dbraw/zinc/53/63/87/472536387.db2.gz LNOFCAQYJBJVNT-UHFFFAOYSA-N 1 2 347.507 2.697 50 0 EFAALO CC(C)[C@H]1C[N@H+](Cc2c[nH]cn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071404168 472550392 /nfs/dbraw/zinc/55/03/92/472550392.db2.gz ZBXDHWLGWPQRAO-GOSISDBHSA-N 1 2 344.434 2.808 50 0 EFAALO CC(C)[C@H]1C[N@@H+](Cc2c[nH]cn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071404168 472550396 /nfs/dbraw/zinc/55/03/96/472550396.db2.gz ZBXDHWLGWPQRAO-GOSISDBHSA-N 1 2 344.434 2.808 50 0 EFAALO CC(C)[C@H]1C[N@H+](Cc2cnc[nH]2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071404168 472550400 /nfs/dbraw/zinc/55/04/00/472550400.db2.gz ZBXDHWLGWPQRAO-GOSISDBHSA-N 1 2 344.434 2.808 50 0 EFAALO CC(C)[C@H]1C[N@@H+](Cc2cnc[nH]2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071404168 472550404 /nfs/dbraw/zinc/55/04/04/472550404.db2.gz ZBXDHWLGWPQRAO-GOSISDBHSA-N 1 2 344.434 2.808 50 0 EFAALO CCN(Cc1ccccc1)C(=O)CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000071523649 472554103 /nfs/dbraw/zinc/55/41/03/472554103.db2.gz JORHHLYCVNMJOO-OAHLLOKOSA-N 1 2 344.377 2.688 50 0 EFAALO CCN(Cc1ccccc1)C(=O)CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000071523649 472554110 /nfs/dbraw/zinc/55/41/10/472554110.db2.gz JORHHLYCVNMJOO-OAHLLOKOSA-N 1 2 344.377 2.688 50 0 EFAALO COc1c(C)cc(C(=O)[C@@H]2CCCN(c3cc(N)nc[nH+]3)C2)cc1C ZINC000071750991 472557808 /nfs/dbraw/zinc/55/78/08/472557808.db2.gz NDKNDKOXJANASV-CQSZACIVSA-N 1 2 340.427 2.784 50 0 EFAALO CCCNc1ncc(C[N@@H+]2CCO[C@H](Cc3cccc(F)c3)C2)cn1 ZINC000071750397 472558306 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CC(=O)c1cc(C[N@H+]2CCC[C@H](C(=O)c3ccccn3)C2)n(C)c1 ZINC000952981918 1284978476 /nfs/dbraw/zinc/97/84/76/1284978476.db2.gz PUTAYCGVJGVLIY-HNNXBMFYSA-N 1 2 325.412 2.718 50 0 EFAALO CN(CCOc1ccccc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)n1cccc1 ZINC000952989528 1284992400 /nfs/dbraw/zinc/99/24/00/1284992400.db2.gz QYJVGAZTAPBQGP-SFHVURJKSA-N 1 2 338.411 2.532 50 0 EFAALO CN(CCOc1ccccc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)n1cccc1 ZINC000952989528 1284992406 /nfs/dbraw/zinc/99/24/06/1284992406.db2.gz QYJVGAZTAPBQGP-SFHVURJKSA-N 1 2 338.411 2.532 50 0 EFAALO Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2coc(C[NH3+])n2)c1 ZINC000952989252 1284993310 /nfs/dbraw/zinc/99/33/10/1284993310.db2.gz TVHXGRPYLIYCJF-UHFFFAOYSA-N 1 2 342.399 2.823 50 0 EFAALO O=C(c1cccn1C1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000179963791 1426314769 /nfs/dbraw/zinc/31/47/69/1426314769.db2.gz DCVDYCGXSNSYSY-UHFFFAOYSA-N 1 2 339.439 2.660 50 0 EFAALO Cc1ncsc1CCN(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001506423131 1405762425 /nfs/dbraw/zinc/76/24/25/1405762425.db2.gz SPZLTHRYXNVLHX-OAHLLOKOSA-N 1 2 344.484 2.764 50 0 EFAALO Cn1c[nH+]cc1CN(CCO)C(=O)[C@@H](c1ccccc1)C1CCCC1 ZINC001704325815 1417907984 /nfs/dbraw/zinc/90/79/84/1417907984.db2.gz SHOKTGWGDCSCTF-IBGZPJMESA-N 1 2 341.455 2.715 50 0 EFAALO CCN(C)c1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)[nH+]cn1 ZINC001704338554 1417911167 /nfs/dbraw/zinc/91/11/67/1417911167.db2.gz UWTZMRQTUWGQTC-GFCCVEGCSA-N 1 2 334.445 2.509 50 0 EFAALO CCN(C)c1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)nc[nH+]1 ZINC001704338554 1417911170 /nfs/dbraw/zinc/91/11/70/1417911170.db2.gz UWTZMRQTUWGQTC-GFCCVEGCSA-N 1 2 334.445 2.509 50 0 EFAALO COc1ccc(NC(=O)C[C@H]2C(=O)OCC[N@@H+]2C2CCCCC2)cc1 ZINC000054253762 214227299 /nfs/dbraw/zinc/22/72/99/214227299.db2.gz YONKXPOZTJIJLL-KRWDZBQOSA-N 1 2 346.427 2.584 50 0 EFAALO COc1ccc(NC(=O)C[C@H]2C(=O)OCC[N@H+]2C2CCCCC2)cc1 ZINC000054253762 214227301 /nfs/dbraw/zinc/22/73/01/214227301.db2.gz YONKXPOZTJIJLL-KRWDZBQOSA-N 1 2 346.427 2.584 50 0 EFAALO Cc1c(NCc2cccnc2)cccc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000055088380 214271093 /nfs/dbraw/zinc/27/10/93/214271093.db2.gz YXYLZGDQOVKBSM-UHFFFAOYSA-N 1 2 335.411 2.698 50 0 EFAALO Cc1c(NCc2cccnc2)cccc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000055088380 214271095 /nfs/dbraw/zinc/27/10/95/214271095.db2.gz YXYLZGDQOVKBSM-UHFFFAOYSA-N 1 2 335.411 2.698 50 0 EFAALO CCc1nn(C)c(Cl)c1C[N@H+](Cc1cccnc1)[C@@H](CC)CO ZINC000055195517 214286257 /nfs/dbraw/zinc/28/62/57/214286257.db2.gz DXPWWTWGNJMJAN-AWEZNQCLSA-N 1 2 336.867 2.804 50 0 EFAALO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1cccnc1)[C@@H](CC)CO ZINC000055195517 214286261 /nfs/dbraw/zinc/28/62/61/214286261.db2.gz DXPWWTWGNJMJAN-AWEZNQCLSA-N 1 2 336.867 2.804 50 0 EFAALO CCn1nc(C)c(C[N@H+](CCOC)Cc2cccnc2NC)c1C ZINC000055211119 214288686 /nfs/dbraw/zinc/28/86/86/214288686.db2.gz BFVXRXQHNDPOEI-UHFFFAOYSA-N 1 2 331.464 2.605 50 0 EFAALO CCn1nc(C)c(C[N@@H+](CCOC)Cc2cccnc2NC)c1C ZINC000055211119 214288691 /nfs/dbraw/zinc/28/86/91/214288691.db2.gz BFVXRXQHNDPOEI-UHFFFAOYSA-N 1 2 331.464 2.605 50 0 EFAALO CCn1c[nH+]cc1CNC(=O)CCc1nc(-c2ccccc2C)no1 ZINC000055255001 214297014 /nfs/dbraw/zinc/29/70/14/214297014.db2.gz WWEQLFXZGVZHAY-UHFFFAOYSA-N 1 2 339.399 2.510 50 0 EFAALO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000097797381 219057994 /nfs/dbraw/zinc/05/79/94/219057994.db2.gz BHIMJONIDQJAEW-CYBMUJFWSA-N 1 2 335.391 2.962 50 0 EFAALO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000097797381 219057995 /nfs/dbraw/zinc/05/79/95/219057995.db2.gz BHIMJONIDQJAEW-CYBMUJFWSA-N 1 2 335.391 2.962 50 0 EFAALO O=C(/C=C/c1ccccc1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000056921597 214395308 /nfs/dbraw/zinc/39/53/08/214395308.db2.gz IXGDRUKIDRVANK-KBOKABMXSA-N 1 2 342.464 2.639 50 0 EFAALO COC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000004341608 210175694 /nfs/dbraw/zinc/17/56/94/210175694.db2.gz VQGXKIZSHVRWGV-VIFPVBQESA-N 1 2 332.360 2.608 50 0 EFAALO COc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c(OC)c1 ZINC000004248464 210151448 /nfs/dbraw/zinc/15/14/48/210151448.db2.gz MANMVXDYZNYNMU-UHFFFAOYSA-N 1 2 339.395 2.632 50 0 EFAALO COC(=O)c1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)o1 ZINC000004084490 210116308 /nfs/dbraw/zinc/11/63/08/210116308.db2.gz RYMVBMUYVYGZAQ-UHFFFAOYSA-N 1 2 331.368 2.642 50 0 biogenic EFAALO COC(=O)c1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)o1 ZINC000004084490 210116312 /nfs/dbraw/zinc/11/63/12/210116312.db2.gz RYMVBMUYVYGZAQ-UHFFFAOYSA-N 1 2 331.368 2.642 50 0 biogenic EFAALO C[N@H+](Cc1nnc2sc(-c3cccnc3)nn12)Cc1ccccc1 ZINC000067239866 215126288 /nfs/dbraw/zinc/12/62/88/215126288.db2.gz RMGJYMJECZYSSA-UHFFFAOYSA-N 1 2 336.424 2.880 50 0 EFAALO C[N@@H+](Cc1nnc2sc(-c3cccnc3)nn12)Cc1ccccc1 ZINC000067239866 215126290 /nfs/dbraw/zinc/12/62/90/215126290.db2.gz RMGJYMJECZYSSA-UHFFFAOYSA-N 1 2 336.424 2.880 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@]1(C)CCCO1 ZINC000067490818 215154158 /nfs/dbraw/zinc/15/41/58/215154158.db2.gz XYRJIMDVZGBCFR-HXUWFJFHSA-N 1 2 339.439 2.903 50 0 EFAALO O=C1CCCN1CCCn1cc[nH+]c1-c1ccc2c(c1)OC(F)(F)O2 ZINC000067642472 215172352 /nfs/dbraw/zinc/17/23/52/215172352.db2.gz UMBIPXGLHFNWRS-UHFFFAOYSA-N 1 2 349.337 2.884 50 0 EFAALO CCN(CC)c1[nH+]cccc1CNC(=O)[C@H]1CCc2ccccc2O1 ZINC000067641833 215172529 /nfs/dbraw/zinc/17/25/29/215172529.db2.gz NRXLYCUTAHPCPN-GOSISDBHSA-N 1 2 339.439 2.938 50 0 EFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)C1CC1 ZINC000067674361 215179321 /nfs/dbraw/zinc/17/93/21/215179321.db2.gz ANQAIGDEUHFQTJ-INIZCTEOSA-N 1 2 339.374 2.830 50 0 EFAALO Cc1nn(CCO)cc1C[N@@H+]1CCC[C@H]1c1nc2c(cccc2C)[nH]1 ZINC000067692501 215187247 /nfs/dbraw/zinc/18/72/47/215187247.db2.gz STPDNEVLSZVWHN-KRWDZBQOSA-N 1 2 339.443 2.706 50 0 EFAALO Cc1nn(CCO)cc1C[N@H+]1CCC[C@H]1c1nc2c(cccc2C)[nH]1 ZINC000067692501 215187251 /nfs/dbraw/zinc/18/72/51/215187251.db2.gz STPDNEVLSZVWHN-KRWDZBQOSA-N 1 2 339.443 2.706 50 0 EFAALO Cc1nn(CCO)cc1C[N@@H+]1CCC[C@H]1c1nc2cccc(C)c2[nH]1 ZINC000067692501 215187254 /nfs/dbraw/zinc/18/72/54/215187254.db2.gz STPDNEVLSZVWHN-KRWDZBQOSA-N 1 2 339.443 2.706 50 0 EFAALO Cc1nn(CCO)cc1C[N@H+]1CCC[C@H]1c1nc2cccc(C)c2[nH]1 ZINC000067692501 215187256 /nfs/dbraw/zinc/18/72/56/215187256.db2.gz STPDNEVLSZVWHN-KRWDZBQOSA-N 1 2 339.443 2.706 50 0 EFAALO O=C1CCCN1CCCn1cc[nH+]c1-c1cccc(-n2cccn2)c1 ZINC000067726923 215195732 /nfs/dbraw/zinc/19/57/32/215195732.db2.gz KOZCHELQQIIJCE-UHFFFAOYSA-N 1 2 335.411 2.748 50 0 EFAALO CN(CCCC1CCCC1)C(=O)c1cc(C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000067755969 215204698 /nfs/dbraw/zinc/20/46/98/215204698.db2.gz XCFZLNHQWYZSMK-MRXNPFEDSA-N 1 2 349.475 2.674 50 0 EFAALO CN(CCCC1CCCC1)C(=O)c1cc(C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000067755969 215204703 /nfs/dbraw/zinc/20/47/03/215204703.db2.gz XCFZLNHQWYZSMK-MRXNPFEDSA-N 1 2 349.475 2.674 50 0 EFAALO C[C@@H](C(=O)NCc1cccnc1N(C)Cc1ccccc1)n1cc[nH+]c1 ZINC000067789928 215213680 /nfs/dbraw/zinc/21/36/80/215213680.db2.gz UJCCPGDIGSWQKJ-INIZCTEOSA-N 1 2 349.438 2.792 50 0 EFAALO CNC(=O)C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067804675 215216712 /nfs/dbraw/zinc/21/67/12/215216712.db2.gz RKFCLGLBEBILQU-UHFFFAOYSA-N 1 2 346.814 2.653 50 0 EFAALO CNC(=O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067804675 215216713 /nfs/dbraw/zinc/21/67/13/215216713.db2.gz RKFCLGLBEBILQU-UHFFFAOYSA-N 1 2 346.814 2.653 50 0 EFAALO Cc1nc(N2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc[nH+]1 ZINC000067851109 215231794 /nfs/dbraw/zinc/23/17/94/215231794.db2.gz OAWUEEKHAJYTJB-UHFFFAOYSA-N 1 2 334.379 2.952 50 0 EFAALO Cc1cnc(C)c(N2CC[NH+](Cc3ccc4cccc(O)c4n3)CC2)n1 ZINC000067921378 215251635 /nfs/dbraw/zinc/25/16/35/215251635.db2.gz LBCSMRKBIGOCQB-UHFFFAOYSA-N 1 2 349.438 2.669 50 0 EFAALO Cc1ncncc1C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000067934249 215252814 /nfs/dbraw/zinc/25/28/14/215252814.db2.gz XYYPAPHOYVDXBO-UHFFFAOYSA-N 1 2 347.422 2.746 50 0 EFAALO COC(=O)N1CCC2(CCC([N@H+](C)Cc3noc(C)n3)CC2)CC1 ZINC000067974729 215263751 /nfs/dbraw/zinc/26/37/51/215263751.db2.gz CRLAXAKQENEFOF-UHFFFAOYSA-N 1 2 336.436 2.601 50 0 EFAALO COC(=O)N1CCC2(CCC([N@@H+](C)Cc3noc(C)n3)CC2)CC1 ZINC000067974729 215263755 /nfs/dbraw/zinc/26/37/55/215263755.db2.gz CRLAXAKQENEFOF-UHFFFAOYSA-N 1 2 336.436 2.601 50 0 EFAALO c1ccc(CCc2nn3c(C[NH+]4CCCCC4)nnc3s2)cc1 ZINC000040266616 213286204 /nfs/dbraw/zinc/28/62/04/213286204.db2.gz BLBROUIGACTXOM-UHFFFAOYSA-N 1 2 327.457 2.957 50 0 EFAALO O=C(NCc1cccs1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038554784 213214984 /nfs/dbraw/zinc/21/49/84/213214984.db2.gz QQSIMEBLMIWJMX-UHFFFAOYSA-N 1 2 341.440 2.656 50 0 EFAALO COc1ccc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)cc1 ZINC000038541592 213213776 /nfs/dbraw/zinc/21/37/76/213213776.db2.gz GXMSLWYXOPQCHK-UHFFFAOYSA-N 1 2 329.429 2.847 50 0 EFAALO COC(=O)c1cc(CN2CC[NH+](Cc3ncccc3C)CC2)cs1 ZINC000072133166 216022065 /nfs/dbraw/zinc/02/20/65/216022065.db2.gz GGZOHRICBXAQSS-UHFFFAOYSA-N 1 2 345.468 2.556 50 0 EFAALO CCCC(=O)Nc1cc(C(=O)N2CCn3c[nH+]cc3C2)ccc1C ZINC000072140152 216025858 /nfs/dbraw/zinc/02/58/58/216025858.db2.gz BAZJZGSYKKVUHA-UHFFFAOYSA-N 1 2 326.400 2.586 50 0 EFAALO O=S(=O)(NCc1ccccc1)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000072142984 216029031 /nfs/dbraw/zinc/02/90/31/216029031.db2.gz KGAWWZZDGHVBHD-UHFFFAOYSA-N 1 2 328.397 2.523 50 0 EFAALO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc2ccnn21 ZINC000072151658 216039954 /nfs/dbraw/zinc/03/99/54/216039954.db2.gz SKFJIJVPCYTMSW-QGZVFWFLSA-N 1 2 331.379 2.702 50 0 EFAALO CC(C)c1nccc(C[NH+]2CCN(c3ncnc4ccccc43)CC2)n1 ZINC000072151655 216040086 /nfs/dbraw/zinc/04/00/86/216040086.db2.gz CRWRQFVLLLPIMD-UHFFFAOYSA-N 1 2 348.454 2.865 50 0 EFAALO Cc1cccc(C)c1OC1C[NH+](Cc2ccc(OCCO)cc2)C1 ZINC000072161908 216050073 /nfs/dbraw/zinc/05/00/73/216050073.db2.gz ODFJQISARGKWBY-UHFFFAOYSA-N 1 2 327.424 2.938 50 0 EFAALO CN1C[C@]2(CCC[N@H+](Cc3noc(-c4ccccc4)n3)CC2)OC1=O ZINC000072153486 216042604 /nfs/dbraw/zinc/04/26/04/216042604.db2.gz LZSNDDBHMUEWSB-GOSISDBHSA-N 1 2 342.399 2.543 50 0 EFAALO CN1C[C@]2(CCC[N@@H+](Cc3noc(-c4ccccc4)n3)CC2)OC1=O ZINC000072153486 216042606 /nfs/dbraw/zinc/04/26/06/216042606.db2.gz LZSNDDBHMUEWSB-GOSISDBHSA-N 1 2 342.399 2.543 50 0 EFAALO O=C(CN1CC[NH+](Cc2cc3ccccc3o2)CC1)N1CCCCC1 ZINC000072163322 216051071 /nfs/dbraw/zinc/05/10/71/216051071.db2.gz CRLUYFJJIFPLQR-UHFFFAOYSA-N 1 2 341.455 2.563 50 0 EFAALO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1nc2c(s1)CCCC2 ZINC000072270747 216093189 /nfs/dbraw/zinc/09/31/89/216093189.db2.gz MJBFAVMBWVFOEO-LBPRGKRZSA-N 1 2 345.472 2.563 50 0 EFAALO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1nc2c(s1)CCCC2 ZINC000072270747 216093192 /nfs/dbraw/zinc/09/31/92/216093192.db2.gz MJBFAVMBWVFOEO-LBPRGKRZSA-N 1 2 345.472 2.563 50 0 EFAALO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000072270586 216093684 /nfs/dbraw/zinc/09/36/84/216093684.db2.gz SVPGPJOHIBFJTK-DLBZAZTESA-N 1 2 329.444 2.646 50 0 EFAALO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000072270586 216093686 /nfs/dbraw/zinc/09/36/86/216093686.db2.gz SVPGPJOHIBFJTK-DLBZAZTESA-N 1 2 329.444 2.646 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1oc(Br)cc1C)C2 ZINC000072279025 216105986 /nfs/dbraw/zinc/10/59/86/216105986.db2.gz HYWMXGLLNGEAAI-SNVBAGLBSA-N 1 2 338.205 2.600 50 0 EFAALO COc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)cc(Cl)c1OC ZINC000072278880 216106420 /nfs/dbraw/zinc/10/64/20/216106420.db2.gz NMWIUIQDGUBFND-GFCCVEGCSA-N 1 2 349.818 2.607 50 0 EFAALO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N[C@@H](C)CCCC(C)C)C2)no1 ZINC000072279288 216107174 /nfs/dbraw/zinc/10/71/74/216107174.db2.gz ZQRNLKWLUJRGQY-HOCLYGCPSA-N 1 2 336.480 2.888 50 0 EFAALO Cc1nc([C@H]2CCC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)C2)no1 ZINC000072279288 216107177 /nfs/dbraw/zinc/10/71/77/216107177.db2.gz ZQRNLKWLUJRGQY-HOCLYGCPSA-N 1 2 336.480 2.888 50 0 EFAALO CC(C)CC(=O)N1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072411584 216203984 /nfs/dbraw/zinc/20/39/84/216203984.db2.gz WOQWLQHWMONTNG-MRXNPFEDSA-N 1 2 347.507 2.553 50 0 EFAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000072412152 216204983 /nfs/dbraw/zinc/20/49/83/216204983.db2.gz GBAMEUFTJAOVEA-HNNXBMFYSA-N 1 2 347.507 2.553 50 0 EFAALO CN(C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1F ZINC000072434582 216228927 /nfs/dbraw/zinc/22/89/27/216228927.db2.gz QOUJGOIAAUBGBI-INIZCTEOSA-N 1 2 330.407 2.558 50 0 EFAALO Cc1nn(C)c2nc[nH+]c(N(C)Cc3cc(-c4ccccc4)on3)c12 ZINC000072430902 216223378 /nfs/dbraw/zinc/22/33/78/216223378.db2.gz CMBAMNHHIMFSOI-UHFFFAOYSA-N 1 2 334.383 2.963 50 0 EFAALO CCC(CC)CN1CC2(CC[NH+](Cc3nccn3C)CC2)OC1=O ZINC000072456887 216241952 /nfs/dbraw/zinc/24/19/52/216241952.db2.gz USUBLALBSUYOID-UHFFFAOYSA-N 1 2 334.464 2.643 50 0 EFAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000072468110 216247618 /nfs/dbraw/zinc/24/76/18/216247618.db2.gz QUGJGPQMVFDSCI-UHFFFAOYSA-N 1 2 345.830 2.707 50 0 EFAALO COc1cccc(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000023361064 212370467 /nfs/dbraw/zinc/37/04/67/212370467.db2.gz GGSPZGBUXUZIED-KRWDZBQOSA-N 1 2 346.496 2.826 50 0 EFAALO COc1cccc(C[N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000023361064 212370470 /nfs/dbraw/zinc/37/04/70/212370470.db2.gz GGSPZGBUXUZIED-KRWDZBQOSA-N 1 2 346.496 2.826 50 0 EFAALO O=C(C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1c[nH]c2ccccc12 ZINC000023182814 212358584 /nfs/dbraw/zinc/35/85/84/212358584.db2.gz TWDRZUNNYNNDNT-UHFFFAOYSA-N 1 2 347.418 2.695 50 0 EFAALO O=C1NC(=O)C(=Cc2ccc(OCCNc3cccc[nH+]3)cc2)S1 ZINC000022066185 212275767 /nfs/dbraw/zinc/27/57/67/212275767.db2.gz GFMJDJHGHVLTLE-KAMYIIQDSA-N 1 2 341.392 2.896 50 0 in-vitro EFAALO COC[C@H](c1ccccn1)[N@H+](C)Cc1cnc(N2CCCCC2)nc1 ZINC000215329803 241120519 /nfs/dbraw/zinc/12/05/19/241120519.db2.gz NBBYOPROBYYKHW-GOSISDBHSA-N 1 2 341.459 2.681 50 0 EFAALO COC[C@H](c1ccccn1)[N@@H+](C)Cc1cnc(N2CCCCC2)nc1 ZINC000215329803 241120522 /nfs/dbraw/zinc/12/05/22/241120522.db2.gz NBBYOPROBYYKHW-GOSISDBHSA-N 1 2 341.459 2.681 50 0 EFAALO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)/C=C/c1ccccc1 ZINC000206733110 241049601 /nfs/dbraw/zinc/04/96/01/241049601.db2.gz 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344.436 2.743 50 0 EFAALO CCOC(=O)N1CC[NH+](Cc2cc(=O)oc3c(C)c(C)ccc23)CC1 ZINC000020358249 212122476 /nfs/dbraw/zinc/12/24/76/212122476.db2.gz HPRLVZGFPYLGCA-UHFFFAOYSA-N 1 2 344.411 2.684 50 0 EFAALO CSc1ccc(C[NH+]2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000020275290 212116089 /nfs/dbraw/zinc/11/60/89/212116089.db2.gz QGEBHBPCCXVNLO-UHFFFAOYSA-N 1 2 327.453 2.762 50 0 EFAALO Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1C[NH+]1CCOCC1 ZINC000020325446 212119356 /nfs/dbraw/zinc/11/93/56/212119356.db2.gz CCRNABSLEKHXMM-UHFFFAOYSA-N 1 2 349.434 2.741 50 0 EFAALO Clc1ccc2[nH]c3c(ncnc3NCC[NH+]3CCOCC3)c2c1 ZINC000020172003 212109530 /nfs/dbraw/zinc/10/95/30/212109530.db2.gz PSLHMKLVDHMXMJ-UHFFFAOYSA-N 1 2 331.807 2.509 50 0 aggregator EFAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000019889439 212079710 /nfs/dbraw/zinc/07/97/10/212079710.db2.gz FCXORXNRIVRKCY-UHFFFAOYSA-N 1 2 344.480 2.810 50 0 EFAALO Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000019841927 212075392 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CCOc1ccc(C(C)=O)cc1NC(=O)N(C)Cc1[nH]cc(C)[nH+]1 ZINC000299779236 258088959 /nfs/dbraw/zinc/08/89/59/258088959.db2.gz RDVIGNDHGUHHDH-UHFFFAOYSA-N 1 2 330.388 2.983 50 0 EFAALO CC(C)c1[nH]c2ccc(NC(=O)NCCCN3CCCC3=O)cc2[nH+]1 ZINC000299787308 258093931 /nfs/dbraw/zinc/09/39/31/258093931.db2.gz WCDFYEQGQZWWJS-UHFFFAOYSA-N 1 2 343.431 2.820 50 0 EFAALO Cc1ccc(C[N@@H+]2CCn3nc(CNc4cnccn4)cc3C2)cc1C ZINC000299787276 258093993 /nfs/dbraw/zinc/09/39/93/258093993.db2.gz UHEZRSFVGXMNJZ-UHFFFAOYSA-N 1 2 348.454 2.918 50 0 EFAALO Cc1ccc(C[N@H+]2CCn3nc(CNc4cnccn4)cc3C2)cc1C ZINC000299787276 258093995 /nfs/dbraw/zinc/09/39/95/258093995.db2.gz UHEZRSFVGXMNJZ-UHFFFAOYSA-N 1 2 348.454 2.918 50 0 EFAALO CC(C)Cn1c[nH+]cc1CNC(=O)Nc1ccc2c(cnn2C)c1 ZINC000299799676 258102966 /nfs/dbraw/zinc/10/29/66/258102966.db2.gz UWHCETWFJDFIBW-UHFFFAOYSA-N 1 2 326.404 2.748 50 0 EFAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccon3)C2)c(OC)c1 ZINC000013593244 258056071 /nfs/dbraw/zinc/05/60/71/258056071.db2.gz 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CC(C)[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCC[N@@H+]1CC1CC1 ZINC000071419059 472551756 /nfs/dbraw/zinc/55/17/56/472551756.db2.gz VPDONICURJWLRZ-SFHVURJKSA-N 1 2 330.476 2.870 50 0 EFAALO CC(C)[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)CCC[N@H+]1CC1CC1 ZINC000071419059 472551764 /nfs/dbraw/zinc/55/17/64/472551764.db2.gz VPDONICURJWLRZ-SFHVURJKSA-N 1 2 330.476 2.870 50 0 EFAALO O=C(CC[N@@H+]1CCO[C@H](C(F)(F)F)C1)N1CCCc2ccccc21 ZINC000071661280 472554704 /nfs/dbraw/zinc/55/47/04/472554704.db2.gz WCFDUUGIHSZLNX-HNNXBMFYSA-N 1 2 342.361 2.619 50 0 EFAALO O=C(CC[N@H+]1CCO[C@H](C(F)(F)F)C1)N1CCCc2ccccc21 ZINC000071661280 472554713 /nfs/dbraw/zinc/55/47/13/472554713.db2.gz WCFDUUGIHSZLNX-HNNXBMFYSA-N 1 2 342.361 2.619 50 0 EFAALO Cn1ncc(N2CCC(CNc3ccc4ccccc4[nH+]3)CC2)cc1=O ZINC000077554175 472554851 /nfs/dbraw/zinc/55/48/51/472554851.db2.gz CUJVNQJYHGQDLT-UHFFFAOYSA-N 1 2 349.438 2.657 50 0 EFAALO Cc1cc(-n2cccn2)ccc1-c1[nH+]ccn1[C@H](C)Cn1cncn1 ZINC000071661920 472555319 /nfs/dbraw/zinc/55/53/19/472555319.db2.gz HNLKPZDDTHKSJS-OAHLLOKOSA-N 1 2 333.399 2.897 50 0 EFAALO CCCn1cc[nH+]c1CN1CCO[C@@H](Cc2cccc(OC)c2)C1 ZINC000071745644 472555792 /nfs/dbraw/zinc/55/57/92/472555792.db2.gz WGVCAVPKEZKTHW-SFHVURJKSA-N 1 2 329.444 2.745 50 0 EFAALO COc1ccc(F)c(-c2nc(C[N@@H+]3CC[C@H](NC(C)=O)C3)c(C)o2)c1 ZINC000071745949 472556026 /nfs/dbraw/zinc/55/60/26/472556026.db2.gz XEOSKDQUAJWLFU-ZDUSSCGKSA-N 1 2 347.390 2.508 50 0 EFAALO COc1ccc(F)c(-c2nc(C[N@H+]3CC[C@H](NC(C)=O)C3)c(C)o2)c1 ZINC000071745949 472556037 /nfs/dbraw/zinc/55/60/37/472556037.db2.gz XEOSKDQUAJWLFU-ZDUSSCGKSA-N 1 2 347.390 2.508 50 0 EFAALO Cc1ccc(-c2ccnc(NCCCc3nnc(N)s3)n2)c(C)[nH+]1 ZINC000071751019 472558628 /nfs/dbraw/zinc/55/86/28/472558628.db2.gz ABBSVPZDZUZGKL-UHFFFAOYSA-N 1 2 341.444 2.634 50 0 EFAALO COCCN1C[C@@H](Cn2cc[nH+]c2-c2ccccc2SC)CC1=O ZINC000071753314 472560067 /nfs/dbraw/zinc/56/00/67/472560067.db2.gz MUBKHFJVYMLALM-AWEZNQCLSA-N 1 2 345.468 2.767 50 0 EFAALO CCc1nc2c(cnn2C)c(N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000072163200 472632775 /nfs/dbraw/zinc/63/27/75/472632775.db2.gz BUVQGHKHXNCDPO-ZDUSSCGKSA-N 1 2 327.436 2.649 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CCCOCc1ccccc1)C2 ZINC000072279077 472646765 /nfs/dbraw/zinc/64/67/65/472646765.db2.gz AAHDKOUXRIIZRT-KRWDZBQOSA-N 1 2 327.428 2.620 50 0 EFAALO Cc1c(C(=O)N2CCC(Cn3cc[nH+]c3)CC2)cnn1-c1ccccc1 ZINC000062017571 472727495 /nfs/dbraw/zinc/72/74/95/472727495.db2.gz UKGGCALKQVBIJK-UHFFFAOYSA-N 1 2 349.438 2.930 50 0 EFAALO Cc1ccc(-c2cc(C(=O)N3CCCn4c[nH+]cc4C3)[nH]n2)s1 ZINC000091270261 472750468 /nfs/dbraw/zinc/75/04/68/472750468.db2.gz YTCRMPBVPQVIJZ-UHFFFAOYSA-N 1 2 327.413 2.689 50 0 EFAALO CN(CCNC(=O)[C@H](c1ccccc1F)[NH+](C)C)c1ccccc1 ZINC000091288879 472752253 /nfs/dbraw/zinc/75/22/53/472752253.db2.gz YPSNAHUHLVNLLG-SFHVURJKSA-N 1 2 329.419 2.681 50 0 EFAALO CC(C)Cc1cc(C(=O)NC[C@@H]2CCCN(c3cccc[nH+]3)C2)on1 ZINC000091320924 472757683 /nfs/dbraw/zinc/75/76/83/472757683.db2.gz NCPFCHLZANSKPE-HNNXBMFYSA-N 1 2 342.443 2.915 50 0 EFAALO CC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1)c1[nH]cc(C)[nH+]1 ZINC000091380824 472761540 /nfs/dbraw/zinc/76/15/40/472761540.db2.gz AUIVKHQCQGXDAL-AWEZNQCLSA-N 1 2 339.399 2.998 50 0 EFAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000091643971 472789176 /nfs/dbraw/zinc/78/91/76/472789176.db2.gz UGATXBINOWWIRX-INIZCTEOSA-N 1 2 345.418 2.617 50 0 EFAALO COc1ccc2cc(C3N4CC5(C)C[NH+]3CC(C)(C4)C5)c(=O)[nH]c2c1 ZINC000079193780 472830498 /nfs/dbraw/zinc/83/04/98/472830498.db2.gz DJKFGYNQZAIABW-UHFFFAOYSA-N 1 2 339.439 2.583 50 0 biogenic EFAALO Cc1[nH+]c2cc(CNC(=O)c3cc(CC(C)C)no3)ccc2n1C ZINC000092081201 472856257 /nfs/dbraw/zinc/85/62/57/472856257.db2.gz OQVHRIAXHWRWMX-UHFFFAOYSA-N 1 2 326.400 2.998 50 0 EFAALO C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c[nH+]c2cc3c(cc21)OCCO3 ZINC000064794873 472875943 /nfs/dbraw/zinc/87/59/43/472875943.db2.gz KSZUTCJQNXURRR-CHWSQXEVSA-N 1 2 329.400 2.597 50 0 EFAALO Cc1cc(-c2nn3c(C[N@@H+](C)Cc4ccccc4)nnc3s2)no1 ZINC000065363811 472926684 /nfs/dbraw/zinc/92/66/84/472926684.db2.gz GZBZCPPAOIUHLW-UHFFFAOYSA-N 1 2 340.412 2.781 50 0 EFAALO Cc1cc(-c2nn3c(C[N@H+](C)Cc4ccccc4)nnc3s2)no1 ZINC000065363811 472926690 /nfs/dbraw/zinc/92/66/90/472926690.db2.gz GZBZCPPAOIUHLW-UHFFFAOYSA-N 1 2 340.412 2.781 50 0 EFAALO CCOc1cccc(-c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)c1 ZINC000065384602 472931375 /nfs/dbraw/zinc/93/13/75/472931375.db2.gz UTOHDQXNYZRCPT-UHFFFAOYSA-N 1 2 325.412 2.535 50 0 EFAALO Cc1cccn2c(CC(=O)NCc3ccc4c(c3)C[C@H](C)O4)c[nH+]c12 ZINC000065394149 472932999 /nfs/dbraw/zinc/93/29/99/472932999.db2.gz NWPXPVMTUQSGCX-AWEZNQCLSA-N 1 2 335.407 2.825 50 0 EFAALO C[N@@H+]1CCCn2nc(C(=O)N3CC=C(c4ccccc4)CC3)cc2C1 ZINC000065403273 472935031 /nfs/dbraw/zinc/93/50/31/472935031.db2.gz BRBIJNHDVBASOG-UHFFFAOYSA-N 1 2 336.439 2.648 50 0 EFAALO C[N@H+]1CCCn2nc(C(=O)N3CC=C(c4ccccc4)CC3)cc2C1 ZINC000065403273 472935039 /nfs/dbraw/zinc/93/50/39/472935039.db2.gz BRBIJNHDVBASOG-UHFFFAOYSA-N 1 2 336.439 2.648 50 0 EFAALO Cc1ccn2cc(CNC(=O)c3cccc(-n4cccn4)c3)[nH+]c2c1 ZINC000065417157 472938008 /nfs/dbraw/zinc/93/80/08/472938008.db2.gz VMSWXSQXMXAOEA-UHFFFAOYSA-N 1 2 331.379 2.758 50 0 EFAALO COCc1nnc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2C)s1 ZINC000065417807 472939073 /nfs/dbraw/zinc/93/90/73/472939073.db2.gz MAVFIEACOVAPJO-CQSZACIVSA-N 1 2 346.456 2.769 50 0 EFAALO COCc1nnc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2C)s1 ZINC000065417807 472939080 /nfs/dbraw/zinc/93/90/80/472939080.db2.gz MAVFIEACOVAPJO-CQSZACIVSA-N 1 2 346.456 2.769 50 0 EFAALO COc1ccccc1C[C@H]1CCCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000065458811 472946524 /nfs/dbraw/zinc/94/65/24/472946524.db2.gz BRCDYTBMEYDSFO-MRXNPFEDSA-N 1 2 338.455 2.685 50 0 EFAALO COc1ccccc1C[C@H]1CCCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000065458811 472946531 /nfs/dbraw/zinc/94/65/31/472946531.db2.gz BRCDYTBMEYDSFO-MRXNPFEDSA-N 1 2 338.455 2.685 50 0 EFAALO O=C(NCCC1=CCC[N@H+](Cc2cnc[nH]2)C1)Nc1ccccc1 ZINC000065488020 472954271 /nfs/dbraw/zinc/95/42/71/472954271.db2.gz STAKOZHYLQGXQU-UHFFFAOYSA-N 1 2 325.416 2.754 50 0 EFAALO O=C(NCCC1=CCC[N@@H+](Cc2cnc[nH]2)C1)Nc1ccccc1 ZINC000065488020 472954277 /nfs/dbraw/zinc/95/42/77/472954277.db2.gz STAKOZHYLQGXQU-UHFFFAOYSA-N 1 2 325.416 2.754 50 0 EFAALO Cc1cccn2c(CNC(=O)c3cccc(Cn4cccn4)c3)c[nH+]c12 ZINC000065498570 472957338 /nfs/dbraw/zinc/95/73/38/472957338.db2.gz RNKKUSVQNYXSNK-UHFFFAOYSA-N 1 2 345.406 2.818 50 0 EFAALO Cc1cc(NCCC(=O)Nc2nccs2)nc(-c2cccnc2)[nH+]1 ZINC000065506994 472959673 /nfs/dbraw/zinc/95/96/73/472959673.db2.gz RMBHFOCTJUVIOT-UHFFFAOYSA-N 1 2 340.412 2.744 50 0 EFAALO Cc1csc([C@@H]2C[N@H+](Cc3cccc4c3OCCO4)CCO2)n1 ZINC000065552938 472975011 /nfs/dbraw/zinc/97/50/11/472975011.db2.gz VBILSQXGRWWSTF-HNNXBMFYSA-N 1 2 332.425 2.796 50 0 EFAALO Cc1csc([C@@H]2C[N@@H+](Cc3cccc4c3OCCO4)CCO2)n1 ZINC000065552938 472975019 /nfs/dbraw/zinc/97/50/19/472975019.db2.gz VBILSQXGRWWSTF-HNNXBMFYSA-N 1 2 332.425 2.796 50 0 EFAALO Cc1nc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)ccc2s1 ZINC000075163816 473144483 /nfs/dbraw/zinc/14/44/83/473144483.db2.gz BGNMOKPYOAQBHP-UHFFFAOYSA-N 1 2 336.380 2.833 50 0 EFAALO COCCN1CCC[C@@]2(CCN(c3[nH+]ccc4ccccc43)C2)C1=O ZINC000095352039 473189339 /nfs/dbraw/zinc/18/93/39/473189339.db2.gz MGSPMZDMYQYLTH-FQEVSTJZSA-N 1 2 339.439 2.700 50 0 EFAALO O=C(c1ccc[nH]1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095387636 473194619 /nfs/dbraw/zinc/19/46/19/473194619.db2.gz XTFJVNFVXBBJPG-ZDUSSCGKSA-N 1 2 341.440 2.736 50 0 EFAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1Br ZINC000152530090 473573750 /nfs/dbraw/zinc/57/37/50/473573750.db2.gz YMRBNUASMRPCGB-GFCCVEGCSA-N 1 2 346.228 2.853 50 0 EFAALO Cc1[nH+]ccn1CC[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000215944720 474139377 /nfs/dbraw/zinc/13/93/77/474139377.db2.gz KJKLNWBDOVYPJM-QGZVFWFLSA-N 1 2 349.438 2.965 50 0 EFAALO Cc1nc(NCc2nc(C)c3c(n2)CCCC3)cc(C2CC(O)C2)[nH+]1 ZINC000219787966 474149591 /nfs/dbraw/zinc/14/95/91/474149591.db2.gz MBHGYAVRSCAHTG-UHFFFAOYSA-N 1 2 339.443 2.613 50 0 EFAALO COCCn1c[nH+]cc1CNC(=O)c1cc2c(s1)CCCCC2 ZINC000219909634 474151014 /nfs/dbraw/zinc/15/10/14/474151014.db2.gz WHJWTEXUIBSRIG-UHFFFAOYSA-N 1 2 333.457 2.790 50 0 EFAALO Cc1noc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)n1 ZINC000222659622 474172766 /nfs/dbraw/zinc/17/27/66/474172766.db2.gz FIPBEXXJGYMNRI-QGZVFWFLSA-N 1 2 346.406 2.703 50 0 EFAALO CO[C@H](C(=O)N1CCC(Oc2cc[nH+]cc2)CC1)c1ccccc1 ZINC000244796121 474566262 /nfs/dbraw/zinc/56/62/62/474566262.db2.gz RTHGLKTUOIALHR-SFHVURJKSA-N 1 2 326.396 2.839 50 0 EFAALO O=C(C[N@@H+]1CCC[C@H](C(=O)c2cccs2)C1)NCc1ccccc1 ZINC000244899453 474567983 /nfs/dbraw/zinc/56/79/83/474567983.db2.gz ZKDWAVMBFRJAMK-INIZCTEOSA-N 1 2 342.464 2.959 50 0 EFAALO O=C(C[N@H+]1CCC[C@H](C(=O)c2cccs2)C1)NCc1ccccc1 ZINC000244899453 474567986 /nfs/dbraw/zinc/56/79/86/474567986.db2.gz ZKDWAVMBFRJAMK-INIZCTEOSA-N 1 2 342.464 2.959 50 0 EFAALO Cc1nc(NCc2cnn(Cc3ccccc3)c2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252552411 474697662 /nfs/dbraw/zinc/69/76/62/474697662.db2.gz URSKJCBYQAOGEC-HDICACEKSA-N 1 2 349.438 2.880 50 0 EFAALO O=C(NC[C@@H](c1ccoc1)[NH+]1CCSCC1)c1cccc(F)c1 ZINC000253399354 474738050 /nfs/dbraw/zinc/73/80/50/474738050.db2.gz IXVYKOKBOVYBSL-INIZCTEOSA-N 1 2 334.416 2.939 50 0 EFAALO O=C(NC[C@@H](c1ccoc1)[NH+]1CCSCC1)c1ccccc1F ZINC000253407488 474739447 /nfs/dbraw/zinc/73/94/47/474739447.db2.gz WMUHOCPKXMNUTF-INIZCTEOSA-N 1 2 334.416 2.939 50 0 EFAALO O=C(/C=C/c1ccoc1)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253407103 474739612 /nfs/dbraw/zinc/73/96/12/474739612.db2.gz VPHGOOYOMYBYLD-BWPKMQGJSA-N 1 2 332.425 2.792 50 0 EFAALO CC(C)Cn1ccc2c1cccc2OCC(=O)NCCc1c[nH+]c[nH]1 ZINC000253408723 474741570 /nfs/dbraw/zinc/74/15/70/474741570.db2.gz KZSKAPKQAVSHEX-UHFFFAOYSA-N 1 2 340.427 2.758 50 0 biogenic EFAALO CC(C)Cn1ccc2c1cccc2OCC(=O)NCCc1c[nH]c[nH+]1 ZINC000253408723 474741581 /nfs/dbraw/zinc/74/15/81/474741581.db2.gz KZSKAPKQAVSHEX-UHFFFAOYSA-N 1 2 340.427 2.758 50 0 biogenic EFAALO O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000253472176 474759935 /nfs/dbraw/zinc/75/99/35/474759935.db2.gz JXXNYXDIPPOBTQ-ZDUSSCGKSA-N 1 2 337.301 2.789 50 0 EFAALO COCCn1c[nH+]cc1CNC(=O)[C@]1(c2cccs2)CC1(C)C ZINC000299770263 476154125 /nfs/dbraw/zinc/15/41/25/476154125.db2.gz QSZUCTCDUMONEP-QGZVFWFLSA-N 1 2 333.457 2.575 50 0 EFAALO Cc1cc(=O)c(OCC(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)co1 ZINC000409413944 476983525 /nfs/dbraw/zinc/98/35/25/476983525.db2.gz LSTAPYLRKGDICK-UHFFFAOYSA-N 1 2 341.367 2.965 50 0 EFAALO Cc1cccn2c(CC(=O)N[C@H](C)c3nnc(C(C)C)o3)c[nH+]c12 ZINC000426517760 477712216 /nfs/dbraw/zinc/71/22/16/477712216.db2.gz CMHIHOOGEFNPCF-GFCCVEGCSA-N 1 2 327.388 2.569 50 0 EFAALO Cc1cc(-c2cccc(C(=O)N[C@@H](C)c3nncn3C)c2)cc(C)[nH+]1 ZINC000426538467 477717732 /nfs/dbraw/zinc/71/77/32/477717732.db2.gz URUABIDHJJKJIM-AWEZNQCLSA-N 1 2 335.411 2.985 50 0 EFAALO CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1-c1[nH+]ccn1C)C2 ZINC000426535131 477717809 /nfs/dbraw/zinc/71/78/09/477717809.db2.gz KKMORFFFBWZRQT-HALDLXJZSA-N 1 2 325.412 2.584 50 0 EFAALO COCCn1c[nH+]cc1CNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000426544938 477719030 /nfs/dbraw/zinc/71/90/30/477719030.db2.gz GBXPILKLEGDQKC-INIZCTEOSA-N 1 2 346.431 2.949 50 0 EFAALO CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N(C)Cc1nonc1C ZINC000426612495 477725891 /nfs/dbraw/zinc/72/58/91/477725891.db2.gz DNNRHLUWJCQULM-ZDUSSCGKSA-N 1 2 341.415 2.900 50 0 EFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(=O)[nH]c2cc(F)ccc21)C1CC1 ZINC000426656918 477734493 /nfs/dbraw/zinc/73/44/93/477734493.db2.gz IIXKBEQNQAPSDJ-INIZCTEOSA-N 1 2 340.358 2.694 50 0 EFAALO O=C(NCCCC[C@H]1CCCO1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000426689059 477739054 /nfs/dbraw/zinc/73/90/54/477739054.db2.gz BRROUCRLOHIWII-INIZCTEOSA-N 1 2 347.459 2.984 50 0 EFAALO CCN(C(=O)c1cccc(-c2ccc(C)[nH+]c2C)c1)[C@@H](C)C(N)=O ZINC000426697322 477739357 /nfs/dbraw/zinc/73/93/57/477739357.db2.gz KTGHOSKWRWHZEH-AWEZNQCLSA-N 1 2 325.412 2.701 50 0 EFAALO 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IOCDGZPMAOAOER-JTQLQIEISA-N 1 2 346.387 2.998 50 0 EFAALO COC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(C)cc1C ZINC000004341766 210175305 /nfs/dbraw/zinc/17/53/05/210175305.db2.gz JREKZHYNYUNISQ-UHFFFAOYSA-N 1 2 328.397 2.697 50 0 EFAALO Cc1c(C)n(CC(C)C)c2ncn(CCCn3cc[nH+]c3)c(=N)c12 ZINC000101401242 219125720 /nfs/dbraw/zinc/12/57/20/219125720.db2.gz BQKAOGPDPBCWDP-UHFFFAOYSA-N 1 2 326.448 2.877 50 0 EFAALO CS(=O)(=O)NCCn1c[nH+]c(-c2ccccc2)c1C1CCCC1 ZINC000065373665 214878267 /nfs/dbraw/zinc/87/82/67/214878267.db2.gz ZCUMNKNDMGPYBF-UHFFFAOYSA-N 1 2 333.457 2.757 50 0 EFAALO Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000004025098 210100951 /nfs/dbraw/zinc/10/09/51/210100951.db2.gz QEVBBQTVOGFTSW-UHFFFAOYSA-N 1 2 336.395 2.571 50 0 EFAALO O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCCn1cc[nH+]c1 ZINC000003984657 210097939 /nfs/dbraw/zinc/09/79/39/210097939.db2.gz KOWRHRIFOLXTHE-UHFFFAOYSA-N 1 2 327.775 2.818 50 0 biogenic EFAALO CC[NH+](CC)Cc1nnc2sc(COc3ccc(C)cc3)nn12 ZINC000067239790 215127092 /nfs/dbraw/zinc/12/70/92/215127092.db2.gz PFKHGYBYKJPELJ-UHFFFAOYSA-N 1 2 331.445 2.915 50 0 EFAALO Cn1cc(C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)cn1 ZINC000067433084 215144843 /nfs/dbraw/zinc/14/48/43/215144843.db2.gz BISKXBUFTCJHQW-UHFFFAOYSA-N 1 2 336.395 2.582 50 0 EFAALO Cn1cc(C[N@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)cn1 ZINC000067433084 215144847 /nfs/dbraw/zinc/14/48/47/215144847.db2.gz BISKXBUFTCJHQW-UHFFFAOYSA-N 1 2 336.395 2.582 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@]1(C)CCCO1 ZINC000067490820 215154097 /nfs/dbraw/zinc/15/40/97/215154097.db2.gz XYRJIMDVZGBCFR-FQEVSTJZSA-N 1 2 339.439 2.903 50 0 EFAALO CCn1ncnc1-c1c(-c2ccccc2)ncn1CCc1c[nH]c[nH+]1 ZINC000067588856 215165710 /nfs/dbraw/zinc/16/57/10/215165710.db2.gz HPAHVMKPFOUNTH-UHFFFAOYSA-N 1 2 333.399 2.794 50 0 EFAALO CCn1ncnc1-c1c(-c2ccccc2)ncn1CCc1c[nH+]c[nH]1 ZINC000067588856 215165713 /nfs/dbraw/zinc/16/57/13/215165713.db2.gz HPAHVMKPFOUNTH-UHFFFAOYSA-N 1 2 333.399 2.794 50 0 EFAALO CC(C)(C)c1cc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)[nH]n1 ZINC000067673666 215178498 /nfs/dbraw/zinc/17/84/98/215178498.db2.gz AAFXEKMBMZRLCE-UHFFFAOYSA-N 1 2 330.432 2.648 50 0 EFAALO CC(C)(C)c1cc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)[nH]n1 ZINC000067673666 215178499 /nfs/dbraw/zinc/17/84/99/215178499.db2.gz AAFXEKMBMZRLCE-UHFFFAOYSA-N 1 2 330.432 2.648 50 0 EFAALO C[C@H](c1cccs1)N(C)C(=O)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067673468 215179412 /nfs/dbraw/zinc/17/94/12/215179412.db2.gz HLPJFICPFINWEZ-GFCCVEGCSA-N 1 2 349.456 2.526 50 0 EFAALO Cc1cccc([C@@H](C(=O)NCCc2n[nH]c3c2CCCC3)[NH+](C)C)c1 ZINC000067674907 215181829 /nfs/dbraw/zinc/18/18/29/215181829.db2.gz WDFPNBCAPUBDPS-IBGZPJMESA-N 1 2 340.471 2.559 50 0 EFAALO CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000067692183 215187357 /nfs/dbraw/zinc/18/73/57/215187357.db2.gz YXQBUAQTRDBDJA-GOSISDBHSA-N 1 2 344.434 2.689 50 0 EFAALO NC(=O)C[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067739984 215199863 /nfs/dbraw/zinc/19/98/63/215199863.db2.gz MRRGYPNZZLBBCT-UHFFFAOYSA-N 1 2 332.407 2.587 50 0 EFAALO NC(=O)C[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067739984 215199866 /nfs/dbraw/zinc/19/98/66/215199866.db2.gz MRRGYPNZZLBBCT-UHFFFAOYSA-N 1 2 332.407 2.587 50 0 EFAALO c1ccn([C@H](Cc2c[nH]c[nH+]2)c2n[nH]c(CCc3ccccc3)n2)c1 ZINC000067868825 215236712 /nfs/dbraw/zinc/23/67/12/215236712.db2.gz KVIAULYYEFKKDR-QGZVFWFLSA-N 1 2 332.411 2.947 50 0 EFAALO c1ccn([C@H](Cc2c[nH]c[nH+]2)c2nc(C3CC3)nn2-c2ccccn2)c1 ZINC000067920899 215251220 /nfs/dbraw/zinc/25/12/20/215251220.db2.gz WVPORSAAMGAAJD-MRXNPFEDSA-N 1 2 345.410 2.896 50 0 EFAALO Cc1cccc2[nH]c(CNC(=O)[C@H](c3cccnc3)[NH+]3CCCC3)nc21 ZINC000067955754 215258463 /nfs/dbraw/zinc/25/84/63/215258463.db2.gz PQOPFXNGNKXFFL-IBGZPJMESA-N 1 2 349.438 2.720 50 0 EFAALO Cc1cccc2nc(CNC(=O)[C@H](c3cccnc3)[NH+]3CCCC3)[nH]c21 ZINC000067955754 215258466 /nfs/dbraw/zinc/25/84/66/215258466.db2.gz PQOPFXNGNKXFFL-IBGZPJMESA-N 1 2 349.438 2.720 50 0 EFAALO O=C(c1ccc2nccn2c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000068275938 215296560 /nfs/dbraw/zinc/29/65/60/215296560.db2.gz CFXZNPCFKYXLIT-QPJJXVBHSA-N 1 2 346.434 2.806 50 0 EFAALO COc1ccccc1-c1nn2c(C[NH+]3CCCCC3)nnc2s1 ZINC000040287904 213289340 /nfs/dbraw/zinc/28/93/40/213289340.db2.gz LGEOYRVPHVRSGW-UHFFFAOYSA-N 1 2 329.429 2.847 50 0 EFAALO CCc1ccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)o1 ZINC000039363281 213233982 /nfs/dbraw/zinc/23/39/82/213233982.db2.gz IUBRZHRSZSDCEK-GOSISDBHSA-N 1 2 343.471 2.614 50 0 EFAALO CCc1ccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)o1 ZINC000039363281 213233985 /nfs/dbraw/zinc/23/39/85/213233985.db2.gz IUBRZHRSZSDCEK-GOSISDBHSA-N 1 2 343.471 2.614 50 0 EFAALO CCc1ccc(CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)o1 ZINC000039363281 213233988 /nfs/dbraw/zinc/23/39/88/213233988.db2.gz IUBRZHRSZSDCEK-GOSISDBHSA-N 1 2 343.471 2.614 50 0 EFAALO CCc1ccc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)o1 ZINC000039363281 213233990 /nfs/dbraw/zinc/23/39/90/213233990.db2.gz IUBRZHRSZSDCEK-GOSISDBHSA-N 1 2 343.471 2.614 50 0 EFAALO O=S(=O)(c1ccccc1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000035366121 213023702 /nfs/dbraw/zinc/02/37/02/213023702.db2.gz LBJHAZDENWNBPC-UHFFFAOYSA-N 1 2 344.480 2.626 50 0 EFAALO O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000072122441 216015284 /nfs/dbraw/zinc/01/52/84/216015284.db2.gz PFUHVQQLBQDDJD-MRXNPFEDSA-N 1 2 347.422 2.757 50 0 EFAALO O=C(c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000072122441 216015286 /nfs/dbraw/zinc/01/52/86/216015286.db2.gz PFUHVQQLBQDDJD-MRXNPFEDSA-N 1 2 347.422 2.757 50 0 EFAALO O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000072127086 216017880 /nfs/dbraw/zinc/01/78/80/216017880.db2.gz SIONCDBEGVWGGP-CQSZACIVSA-N 1 2 339.386 2.683 50 0 EFAALO O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000072127087 216018190 /nfs/dbraw/zinc/01/81/90/216018190.db2.gz SIONCDBEGVWGGP-AWEZNQCLSA-N 1 2 339.386 2.683 50 0 EFAALO O=S(=O)(N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000072152737 216041102 /nfs/dbraw/zinc/04/11/02/216041102.db2.gz CRPBWWCPFCBHDF-MRXNPFEDSA-N 1 2 348.443 2.769 50 0 EFAALO O=S(=O)(N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000072152737 216041105 /nfs/dbraw/zinc/04/11/05/216041105.db2.gz CRPBWWCPFCBHDF-MRXNPFEDSA-N 1 2 348.443 2.769 50 0 EFAALO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000072270584 216092716 /nfs/dbraw/zinc/09/27/16/216092716.db2.gz RVHOPFXMQIKDGG-DLBZAZTESA-N 1 2 329.444 2.646 50 0 EFAALO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000072270584 216092718 /nfs/dbraw/zinc/09/27/18/216092718.db2.gz RVHOPFXMQIKDGG-DLBZAZTESA-N 1 2 329.444 2.646 50 0 EFAALO CC(C)NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072270690 216093365 /nfs/dbraw/zinc/09/33/65/216093365.db2.gz GIGUIJVYXSNDDO-FUHWJXTLSA-N 1 2 326.444 2.855 50 0 EFAALO CC(C)NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072270690 216093368 /nfs/dbraw/zinc/09/33/68/216093368.db2.gz GIGUIJVYXSNDDO-FUHWJXTLSA-N 1 2 326.444 2.855 50 0 EFAALO COc1ccc(C(=O)CN2c3ccccc3N3CC[NH+]=C23)cc1OC ZINC000000178675 209467768 /nfs/dbraw/zinc/46/77/68/209467768.db2.gz FAOSFYCNIRVKSA-UHFFFAOYSA-N 1 2 337.379 2.583 50 0 EFAALO COc1cc(F)ccc1-c1ccc(=O)n(C[NH+]2CCCCCC2)n1 ZINC000072402307 216193781 /nfs/dbraw/zinc/19/37/81/216193781.db2.gz WJHJEHRASRTODM-UHFFFAOYSA-N 1 2 331.391 2.892 50 0 EFAALO CCn1cc[nH+]c1CN(C)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072407738 216198547 /nfs/dbraw/zinc/19/85/47/216198547.db2.gz CRWGFZVBEZWZJQ-UHFFFAOYSA-N 1 2 329.444 2.879 50 0 EFAALO CC[C@@]1(O)CCN(c2cc(C)c3ccc(SC)cc3[nH+]2)C[C@H]1O ZINC000072419163 216207232 /nfs/dbraw/zinc/20/72/32/216207232.db2.gz LZFRRPWZBMNXNG-SJLPKXTDSA-N 1 2 332.469 2.977 50 0 EFAALO Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000072419519 216207666 /nfs/dbraw/zinc/20/76/66/216207666.db2.gz ZWHREAQUGDTTAJ-OAHLLOKOSA-N 1 2 347.507 2.553 50 0 EFAALO Cc1nc(N2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000072428624 216220797 /nfs/dbraw/zinc/22/07/97/216220797.db2.gz QCWPRYVPZKJIPU-UHFFFAOYSA-N 1 2 336.439 2.804 50 0 EFAALO OCC[C@H]1CN(c2ncccc2Cl)CC[N@@H+]1Cc1ccccc1F ZINC000072430621 216223437 /nfs/dbraw/zinc/22/34/37/216223437.db2.gz MZFQBMOZJPNLEL-HNNXBMFYSA-N 1 2 349.837 2.947 50 0 EFAALO OCC[C@H]1CN(c2ncccc2Cl)CC[N@H+]1Cc1ccccc1F ZINC000072430621 216223441 /nfs/dbraw/zinc/22/34/41/216223441.db2.gz MZFQBMOZJPNLEL-HNNXBMFYSA-N 1 2 349.837 2.947 50 0 EFAALO Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000072437417 216232192 /nfs/dbraw/zinc/23/21/92/216232192.db2.gz AHFFKBRPNQRVJE-UHFFFAOYSA-N 1 2 340.431 2.619 50 0 EFAALO Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000072437417 216232195 /nfs/dbraw/zinc/23/21/95/216232195.db2.gz AHFFKBRPNQRVJE-UHFFFAOYSA-N 1 2 340.431 2.619 50 0 EFAALO CCCc1nc2c(cnn2C)c(N[C@@H](c2[nH+]ccn2C)C(C)C)n1 ZINC000072473086 216250069 /nfs/dbraw/zinc/25/00/69/216250069.db2.gz SNJAVTATDWEFRN-CQSZACIVSA-N 1 2 327.436 2.859 50 0 EFAALO Cc1nnc(NC(=O)N[C@H](CCn2cc[nH+]c2C)c2ccccc2)[nH]1 ZINC000023478416 212380332 /nfs/dbraw/zinc/38/03/32/212380332.db2.gz BKRZMAWHKYAEQE-OAHLLOKOSA-N 1 2 339.403 2.571 50 0 EFAALO Cc1nc(NC(=O)N[C@H](CCn2cc[nH+]c2C)c2ccccc2)n[nH]1 ZINC000023478416 212380336 /nfs/dbraw/zinc/38/03/36/212380336.db2.gz BKRZMAWHKYAEQE-OAHLLOKOSA-N 1 2 339.403 2.571 50 0 EFAALO Cc1n[nH]c(NC(=O)N[C@H](CCn2cc[nH+]c2C)c2ccccc2)n1 ZINC000023478416 212380337 /nfs/dbraw/zinc/38/03/37/212380337.db2.gz BKRZMAWHKYAEQE-OAHLLOKOSA-N 1 2 339.403 2.571 50 0 EFAALO Cc1nnc(NC(=O)N[C@@H](CCn2cc[nH+]c2C)c2ccccc2)[nH]1 ZINC000023478415 212379719 /nfs/dbraw/zinc/37/97/19/212379719.db2.gz BKRZMAWHKYAEQE-HNNXBMFYSA-N 1 2 339.403 2.571 50 0 EFAALO Cc1nc(NC(=O)N[C@@H](CCn2cc[nH+]c2C)c2ccccc2)n[nH]1 ZINC000023478415 212379724 /nfs/dbraw/zinc/37/97/24/212379724.db2.gz BKRZMAWHKYAEQE-HNNXBMFYSA-N 1 2 339.403 2.571 50 0 EFAALO Cc1n[nH]c(NC(=O)N[C@@H](CCn2cc[nH+]c2C)c2ccccc2)n1 ZINC000023478415 212379728 /nfs/dbraw/zinc/37/97/28/212379728.db2.gz BKRZMAWHKYAEQE-HNNXBMFYSA-N 1 2 339.403 2.571 50 0 EFAALO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)o1 ZINC000023373965 212372534 /nfs/dbraw/zinc/37/25/34/212372534.db2.gz PQIHEQCZLCNILZ-IBGZPJMESA-N 1 2 328.456 2.965 50 0 EFAALO Cc1ccc(C[N@H+]2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)o1 ZINC000023373965 212372536 /nfs/dbraw/zinc/37/25/36/212372536.db2.gz PQIHEQCZLCNILZ-IBGZPJMESA-N 1 2 328.456 2.965 50 0 EFAALO CCCn1[nH]c(C)c2nc(-c3cccc(C[NH+]4CCOCC4)c3)nc1-2 ZINC000023380093 212372545 /nfs/dbraw/zinc/37/25/45/212372545.db2.gz KEVKYUSAWXTNBW-UHFFFAOYSA-N 1 2 339.443 2.977 50 0 EFAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000023379117 212372744 /nfs/dbraw/zinc/37/27/44/212372744.db2.gz UOLHPQQEKDEQBK-UHFFFAOYSA-N 1 2 344.480 2.810 50 0 EFAALO CCNC(=O)c1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1 ZINC000023411502 212374953 /nfs/dbraw/zinc/37/49/53/212374953.db2.gz DKBSTQGGIVFVAH-UHFFFAOYSA-N 1 2 326.444 2.934 50 0 EFAALO CCNC(=O)c1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1 ZINC000023411502 212374955 /nfs/dbraw/zinc/37/49/55/212374955.db2.gz DKBSTQGGIVFVAH-UHFFFAOYSA-N 1 2 326.444 2.934 50 0 EFAALO C[NH+]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)n2)CC1 ZINC000022996558 212340889 /nfs/dbraw/zinc/34/08/89/212340889.db2.gz FLAKGHKKOLQKLV-UHFFFAOYSA-N 1 2 341.255 2.507 50 0 EFAALO Cc1cccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4cccs4)nn32)c1 ZINC000263617385 240387162 /nfs/dbraw/zinc/38/71/62/240387162.db2.gz NMVVLBHXJOBNKT-KRWDZBQOSA-N 1 2 338.436 2.952 50 0 EFAALO CC(=O)c1ccc(N2CC[NH+](Cc3cnn(C(C)C)c3)CC2)cc1 ZINC000216077745 241164917 /nfs/dbraw/zinc/16/49/17/241164917.db2.gz SLQFVEPXMWITLL-UHFFFAOYSA-N 1 2 326.444 2.989 50 0 EFAALO CN1C[C@@]2(CCC[N@H+](Cc3cnc(C4CCCCC4)nc3)C2)OC1=O ZINC000216190161 241171665 /nfs/dbraw/zinc/17/16/65/241171665.db2.gz OUQUACIEFDQEQW-LJQANCHMSA-N 1 2 344.459 2.941 50 0 EFAALO CN1C[C@@]2(CCC[N@@H+](Cc3cnc(C4CCCCC4)nc3)C2)OC1=O ZINC000216190161 241171671 /nfs/dbraw/zinc/17/16/71/241171671.db2.gz OUQUACIEFDQEQW-LJQANCHMSA-N 1 2 344.459 2.941 50 0 EFAALO Cc1cc(N[C@@H]2CCOC[C@H]2OCCO)[nH+]c2ccc(Cl)cc12 ZINC000219326056 241378984 /nfs/dbraw/zinc/37/89/84/241378984.db2.gz HQXKVCPBGPXKOH-HZPDHXFCSA-N 1 2 336.819 2.775 50 0 EFAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+](CCO)Cc1ccccc1F ZINC000243900886 243029575 /nfs/dbraw/zinc/02/95/75/243029575.db2.gz AWYVPHIPSAASGK-UHFFFAOYSA-N 1 2 348.418 2.810 50 0 EFAALO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+](CCO)Cc1ccccc1F ZINC000243900886 243029579 /nfs/dbraw/zinc/02/95/79/243029579.db2.gz AWYVPHIPSAASGK-UHFFFAOYSA-N 1 2 348.418 2.810 50 0 EFAALO Cc1nc(NCc2ccc(-n3cccn3)cc2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000243893159 243030119 /nfs/dbraw/zinc/03/01/19/243030119.db2.gz AOPGSOPUQQCIFI-WOVMCDHWSA-N 1 2 335.411 2.821 50 0 EFAALO Cc1ccc2nc(C(=O)NCc3[nH+]ccn3Cc3ccccc3)cn2c1 ZINC000020860620 212176715 /nfs/dbraw/zinc/17/67/15/212176715.db2.gz BLOGGLJLONEFOZ-UHFFFAOYSA-N 1 2 345.406 2.818 50 0 EFAALO O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000244678448 243054204 /nfs/dbraw/zinc/05/42/04/243054204.db2.gz ICYIBQRLOHRBBN-JFIYKMOQSA-N 1 2 348.406 2.714 50 0 EFAALO c1csc(C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1 ZINC000020781107 212171659 /nfs/dbraw/zinc/17/16/59/212171659.db2.gz PZBAADSZMQZBDN-UHFFFAOYSA-N 1 2 340.408 2.820 50 0 EFAALO c1csc(C[N@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1 ZINC000020781107 212171660 /nfs/dbraw/zinc/17/16/60/212171660.db2.gz PZBAADSZMQZBDN-UHFFFAOYSA-N 1 2 340.408 2.820 50 0 EFAALO OCCNc1cc([C@H]2C[C@@H](Nc3ccc4ccccc4[nH+]3)C2)ncn1 ZINC000244884194 243097229 /nfs/dbraw/zinc/09/72/29/243097229.db2.gz YHEWHCXHUSFDIE-GASCZTMLSA-N 1 2 335.411 2.787 50 0 EFAALO Cc1cc2ccccc2n1CC[N@@H+](C)Cc1nc(CN(C)C)no1 ZINC000244741972 243072650 /nfs/dbraw/zinc/07/26/50/243072650.db2.gz NZWYMLDCXTZNKV-UHFFFAOYSA-N 1 2 327.432 2.526 50 0 EFAALO Cc1cc2ccccc2n1CC[N@H+](C)Cc1nc(CN(C)C)no1 ZINC000244741972 243072655 /nfs/dbraw/zinc/07/26/55/243072655.db2.gz NZWYMLDCXTZNKV-UHFFFAOYSA-N 1 2 327.432 2.526 50 0 EFAALO COc1c2c(cc3c1[C@H](CC(=O)c1cccnc1)[N@H+](C)CC3)OCO2 ZINC000020758914 212169334 /nfs/dbraw/zinc/16/93/34/212169334.db2.gz BNFFMDQVYXJISJ-AWEZNQCLSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO COc1c2c(cc3c1[C@H](CC(=O)c1cccnc1)[N@@H+](C)CC3)OCO2 ZINC000020758914 212169338 /nfs/dbraw/zinc/16/93/38/212169338.db2.gz BNFFMDQVYXJISJ-AWEZNQCLSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO C[NH+]1CCN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)CC1 ZINC000020661094 212160636 /nfs/dbraw/zinc/16/06/36/212160636.db2.gz CLIBJLIINQPKAY-UHFFFAOYSA-N 1 2 347.418 2.563 50 0 EFAALO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)NC1CCCCCC1 ZINC000020437832 212129212 /nfs/dbraw/zinc/12/92/12/212129212.db2.gz QGIYKCZWVOAEDD-UHFFFAOYSA-N 1 2 347.478 2.782 50 0 EFAALO CCn1c2ccccc2n(C[C@@H](O)COc2cccc(C)c2)c1=[NH2+] ZINC000020292557 212117278 /nfs/dbraw/zinc/11/72/78/212117278.db2.gz RNYVUHSERNFCAA-OAHLLOKOSA-N 1 2 325.412 2.690 50 0 EFAALO C[C@@H](C[NH+]1CCN(C)CC1)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000020266652 212115681 /nfs/dbraw/zinc/11/56/81/212115681.db2.gz CYCJMQNRQUSPAW-INIZCTEOSA-N 1 2 348.487 2.542 50 0 EFAALO CCCCn1c(=O)c([C@@H]2[NH2+]CCc3ccccc32)c(O)[nH]c1=S ZINC000020229577 212113439 /nfs/dbraw/zinc/11/34/39/212113439.db2.gz OOQDQDHHGOJLLL-CQSZACIVSA-N 1 2 331.441 2.647 50 0 EFAALO CCCCn1c(O)c([C@@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=S ZINC000020229577 212113444 /nfs/dbraw/zinc/11/34/44/212113444.db2.gz OOQDQDHHGOJLLL-CQSZACIVSA-N 1 2 331.441 2.647 50 0 EFAALO CC[C@@H](C)n1c(=O)c([C@@H]2[NH2+]CCc3ccccc32)c(O)[nH]c1=S ZINC000020149727 212106790 /nfs/dbraw/zinc/10/67/90/212106790.db2.gz IVNSGPKXWFKZIV-QMTHXVAHSA-N 1 2 331.441 2.818 50 0 EFAALO CC[C@@H](C)n1c(O)c([C@@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=S ZINC000020149727 212106791 /nfs/dbraw/zinc/10/67/91/212106791.db2.gz IVNSGPKXWFKZIV-QMTHXVAHSA-N 1 2 331.441 2.818 50 0 EFAALO Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000019921040 212083300 /nfs/dbraw/zinc/08/33/00/212083300.db2.gz KDVBSJYQYQOSHF-UHFFFAOYSA-N 1 2 342.414 2.857 50 0 EFAALO Cc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019929063 212085572 /nfs/dbraw/zinc/08/55/72/212085572.db2.gz YGWFTZVVBVKMLN-UHFFFAOYSA-N 1 2 340.423 2.845 50 0 EFAALO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019922548 212084823 /nfs/dbraw/zinc/08/48/23/212084823.db2.gz KQMQBSDTUIFNEZ-UHFFFAOYSA-N 1 2 326.396 2.780 50 0 EFAALO CC(C)n1cc(C(=O)N2CCCC[C@@H]2CCc2[nH+]ccn2C)cn1 ZINC000077438264 216904455 /nfs/dbraw/zinc/90/44/55/216904455.db2.gz XZDDGWIYGFVKGJ-MRXNPFEDSA-N 1 2 329.448 2.825 50 0 EFAALO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3OC)CC2)c1 ZINC000019823629 212072803 /nfs/dbraw/zinc/07/28/03/212072803.db2.gz IMSWETJLGMBXER-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 EFAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000019841725 212074241 /nfs/dbraw/zinc/07/42/41/212074241.db2.gz IIFCYAZCYJLGIY-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO O=C(OCC[NH+]1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000019798058 212070193 /nfs/dbraw/zinc/07/01/93/212070193.db2.gz ZPOROEBGHMWWDI-UHFFFAOYSA-N 1 2 325.408 2.694 50 0 EFAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000019774100 212064380 /nfs/dbraw/zinc/06/43/80/212064380.db2.gz CCHDVADNBVJEJN-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO CCc1cc2c(cc1OC(=O)C[NH3+])occ(-c1nc(C)cs1)c2=O ZINC000019703039 212056017 /nfs/dbraw/zinc/05/60/17/212056017.db2.gz OHQFFJPDDJUVEB-UHFFFAOYSA-N 1 2 344.392 2.651 50 0 biogenic EFAALO COc1ccc(C(=O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019642011 212053529 /nfs/dbraw/zinc/05/35/29/212053529.db2.gz QOABVBAPHTTZBQ-LJQANCHMSA-N 1 2 325.408 2.994 50 0 EFAALO CCOc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000019533291 212039570 /nfs/dbraw/zinc/03/95/70/212039570.db2.gz ALOMGGPPPOBUIC-UHFFFAOYSA-N 1 2 338.451 2.972 50 0 EFAALO COc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019360247 212021666 /nfs/dbraw/zinc/02/16/66/212021666.db2.gz QNBFSPUDPMWLDR-UHFFFAOYSA-N 1 2 340.423 2.742 50 0 EFAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000019210299 212004500 /nfs/dbraw/zinc/00/45/00/212004500.db2.gz KBSWNXVDOOJRAE-UHFFFAOYSA-N 1 2 330.453 2.502 50 0 EFAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(C)n[nH]3)C2)c(OC)c1 ZINC000019147766 212002205 /nfs/dbraw/zinc/00/22/05/212002205.db2.gz AJTDKHZZUQBDSX-AWEZNQCLSA-N 1 2 343.427 2.830 50 0 EFAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(C)n[nH]3)C2)c(OC)c1 ZINC000019147766 212002208 /nfs/dbraw/zinc/00/22/08/212002208.db2.gz AJTDKHZZUQBDSX-AWEZNQCLSA-N 1 2 343.427 2.830 50 0 EFAALO CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000079439385 217225024 /nfs/dbraw/zinc/22/50/24/217225024.db2.gz KQNVIWQSGBRMLC-AWEZNQCLSA-N 1 2 347.463 2.935 50 0 EFAALO CC(C)(C)OC(=O)NC[C@@H]1CCCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000079439385 217225026 /nfs/dbraw/zinc/22/50/26/217225026.db2.gz KQNVIWQSGBRMLC-AWEZNQCLSA-N 1 2 347.463 2.935 50 0 EFAALO O=C(NCc1[nH]cc[nH+]1)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000426428392 247279263 /nfs/dbraw/zinc/27/92/63/247279263.db2.gz SGUBJBSDZATCQT-CYBMUJFWSA-N 1 2 332.379 2.549 50 0 EFAALO CCc1[nH+]c2ccccc2n1CCC(=O)NCCc1nnc(C)s1 ZINC000426575159 247292751 /nfs/dbraw/zinc/29/27/51/247292751.db2.gz SXGXGUDQKRWBNJ-UHFFFAOYSA-N 1 2 343.456 2.508 50 0 EFAALO O=C(c1ccc[nH]1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091746554 296246412 /nfs/dbraw/zinc/24/64/12/296246412.db2.gz JIIASPKUNAQWBN-INIZCTEOSA-N 1 2 335.411 2.674 50 0 EFAALO Cc1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)n[nH]1 ZINC000012433389 211379545 /nfs/dbraw/zinc/37/95/45/211379545.db2.gz QYUIQXOVNHMNFD-SFHVURJKSA-N 1 2 335.398 2.814 50 0 EFAALO Cc1cc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)n[nH]1 ZINC000012433389 211379547 /nfs/dbraw/zinc/37/95/47/211379547.db2.gz QYUIQXOVNHMNFD-SFHVURJKSA-N 1 2 335.398 2.814 50 0 EFAALO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000012380428 211361740 /nfs/dbraw/zinc/36/17/40/211361740.db2.gz WSYJLHONITZYFL-CQSZACIVSA-N 1 2 332.375 2.530 50 0 EFAALO Cc1cc2[nH+]cn(Cc3cc(C(=O)N4CCCCO4)[nH]n3)c2cc1C ZINC000012317336 211344938 /nfs/dbraw/zinc/34/49/38/211344938.db2.gz DIAKPFNACSNRRO-UHFFFAOYSA-N 1 2 339.399 2.592 50 0 EFAALO CCn1cc[nH+]c1CN(C)C(=O)c1coc(COc2ccccc2)n1 ZINC000012302982 211339429 /nfs/dbraw/zinc/33/94/29/211339429.db2.gz OPCCNXMWWDNUMK-UHFFFAOYSA-N 1 2 340.383 2.742 50 0 EFAALO Cn1cc[nH+]c1CN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O ZINC000091391371 218000881 /nfs/dbraw/zinc/00/08/81/218000881.db2.gz RQBVZAWPOXORID-LJQANCHMSA-N 1 2 341.411 2.520 50 0 EFAALO C[C@@H]1C[N@H+](Cc2noc(C3CCCC3)n2)CC[C@@]1(O)C1CCOCC1 ZINC000091411188 218001885 /nfs/dbraw/zinc/00/18/85/218001885.db2.gz DWHULSGSMKJVIW-KUHUBIRLSA-N 1 2 349.475 2.727 50 0 EFAALO C[C@@H]1C[N@@H+](Cc2noc(C3CCCC3)n2)CC[C@@]1(O)C1CCOCC1 ZINC000091411188 218001886 /nfs/dbraw/zinc/00/18/86/218001886.db2.gz DWHULSGSMKJVIW-KUHUBIRLSA-N 1 2 349.475 2.727 50 0 EFAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000091412277 218001895 /nfs/dbraw/zinc/00/18/95/218001895.db2.gz QZNSOVKDYFQKDS-AWEZNQCLSA-N 1 2 331.391 2.827 50 0 EFAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+]1CCCN(C=O)CC1 ZINC000011945175 211273953 /nfs/dbraw/zinc/27/39/53/211273953.db2.gz LGWKTWRSLZLNMS-UHFFFAOYSA-N 1 2 335.354 2.592 50 0 EFAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+]1CCCN(C=O)CC1 ZINC000011945175 211273958 /nfs/dbraw/zinc/27/39/58/211273958.db2.gz LGWKTWRSLZLNMS-UHFFFAOYSA-N 1 2 335.354 2.592 50 0 EFAALO Cc1cccc(CN2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]2CCO)n1 ZINC000091506390 218015141 /nfs/dbraw/zinc/01/51/41/218015141.db2.gz IXXQVFQFQLABIV-FQEVSTJZSA-N 1 2 343.446 2.598 50 0 EFAALO Cc1cccc(CN2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]2CCO)n1 ZINC000091506390 218015143 /nfs/dbraw/zinc/01/51/43/218015143.db2.gz IXXQVFQFQLABIV-FQEVSTJZSA-N 1 2 343.446 2.598 50 0 EFAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@@H](C)[C@](O)(C(C)C)C1 ZINC000091486866 218013519 /nfs/dbraw/zinc/01/35/19/218013519.db2.gz BSGSKVDIWJUBFY-AUUYWEPGSA-N 1 2 329.444 2.600 50 0 EFAALO Cc1ccc(-c2cc(C(=O)NCc3c[nH+]cn3CC(C)C)[nH]n2)o1 ZINC000091505067 218015189 /nfs/dbraw/zinc/01/51/89/218015189.db2.gz MWYSLWXBMCVVEM-UHFFFAOYSA-N 1 2 327.388 2.761 50 0 EFAALO CCOc1ncccc1C(=O)N1CCC[C@H](c2[nH+]ccn2CC)C1 ZINC000091624557 218032958 /nfs/dbraw/zinc/03/29/58/218032958.db2.gz DYHKJPOSDJPRAT-AWEZNQCLSA-N 1 2 328.416 2.717 50 0 EFAALO CC(C)Cn1c[nH+]cc1CNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000091625104 218034005 /nfs/dbraw/zinc/03/40/05/218034005.db2.gz UPHDHZIWFQARHI-UHFFFAOYSA-N 1 2 341.390 2.998 50 0 EFAALO CCc1c(C)[nH+]c(C)nc1N1C[C@@H](c2ccc(C)o2)[C@H](NC(C)=O)C1 ZINC000091625667 218034300 /nfs/dbraw/zinc/03/43/00/218034300.db2.gz DVVCYUYNWWWAAX-IAGOWNOFSA-N 1 2 342.443 2.666 50 0 EFAALO Cc1cc2nc(C[N@@H+]3CCC[C@](C)(c4ccccc4)C3)cc(=O)n2[nH]1 ZINC000091526847 218018041 /nfs/dbraw/zinc/01/80/41/218018041.db2.gz SDLDPOSSORTMNE-FQEVSTJZSA-N 1 2 336.439 2.885 50 0 EFAALO Cc1cc2nc(C[N@H+]3CCC[C@](C)(c4ccccc4)C3)cc(=O)n2[nH]1 ZINC000091526847 218018042 /nfs/dbraw/zinc/01/80/42/218018042.db2.gz SDLDPOSSORTMNE-FQEVSTJZSA-N 1 2 336.439 2.885 50 0 EFAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000091551964 218021776 /nfs/dbraw/zinc/02/17/76/218021776.db2.gz SCNNGJKURJFMME-ZDUSSCGKSA-N 1 2 349.381 2.828 50 0 EFAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000091586133 218025624 /nfs/dbraw/zinc/02/56/24/218025624.db2.gz FQVRQDPYDZHFRV-UHFFFAOYSA-N 1 2 338.415 2.755 50 0 EFAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000091593852 218027635 /nfs/dbraw/zinc/02/76/35/218027635.db2.gz FFYYRTJQNRCIGL-UHFFFAOYSA-N 1 2 335.363 2.595 50 0 EFAALO Cn1cccc1C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091594322 218028513 /nfs/dbraw/zinc/02/85/13/218028513.db2.gz WSDICRIRLXCFPG-UHFFFAOYSA-N 1 2 349.438 2.685 50 0 EFAALO CCCCc1nc(Cl)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)[nH]1 ZINC000091644680 218037906 /nfs/dbraw/zinc/03/79/06/218037906.db2.gz DEBCYDRTWJFJMU-UONOGXRCSA-N 1 2 338.883 2.848 50 0 EFAALO CCCCc1nc(Cl)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)[nH]1 ZINC000091644680 218037908 /nfs/dbraw/zinc/03/79/08/218037908.db2.gz DEBCYDRTWJFJMU-UONOGXRCSA-N 1 2 338.883 2.848 50 0 EFAALO Cc1nn2c(nc(C[N@@H+]3CCC[C@](C)(c4ccccc4)C3)cc2=O)[nH]1 ZINC000091646081 218039769 /nfs/dbraw/zinc/03/97/69/218039769.db2.gz XSSRTJLAKGDBNS-IBGZPJMESA-N 1 2 337.427 2.692 50 0 EFAALO Cc1nn2c(nc(C[N@H+]3CCC[C@](C)(c4ccccc4)C3)cc2=O)[nH]1 ZINC000091646081 218039771 /nfs/dbraw/zinc/03/97/71/218039771.db2.gz XSSRTJLAKGDBNS-IBGZPJMESA-N 1 2 337.427 2.692 50 0 EFAALO CC[C@]1(CO)CCCN(c2ccc(Cn3nc(C)cc3C)c[nH+]2)C1 ZINC000091746838 218058365 /nfs/dbraw/zinc/05/83/65/218058365.db2.gz MZZYVFXXBGXEFV-IBGZPJMESA-N 1 2 328.460 2.932 50 0 EFAALO O=C(c1ccc[nH]1)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091934193 218091610 /nfs/dbraw/zinc/09/16/10/218091610.db2.gz LWQNBSXCBKSCPF-MRXNPFEDSA-N 1 2 335.411 2.674 50 0 EFAALO COc1ccc2[nH]c(CCNC(=O)c3cc(CC(C)C)no3)[nH+]c2c1 ZINC000091831091 218072956 /nfs/dbraw/zinc/07/29/56/218072956.db2.gz CRHJPPDSSDSROW-UHFFFAOYSA-N 1 2 342.399 2.731 50 0 EFAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000091831159 218073034 /nfs/dbraw/zinc/07/30/34/218073034.db2.gz PPBVCIDBCOTFDT-UHFFFAOYSA-N 1 2 349.381 2.828 50 0 EFAALO O=C(N1CCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091951447 218093633 /nfs/dbraw/zinc/09/36/33/218093633.db2.gz UZTGQRDDMNZPPW-QGZVFWFLSA-N 1 2 339.443 2.722 50 0 EFAALO CCn1c[nH+]cc1Cn1cc(-c2cnc(-c3cccc(C)c3)nc2)nn1 ZINC000092098181 218118247 /nfs/dbraw/zinc/11/82/47/218118247.db2.gz ABFDMUXHRONUJM-UHFFFAOYSA-N 1 2 345.410 2.975 50 0 EFAALO COC(CNc1[nH+]cnc2c1cnn2-c1cc(Cl)ccc1C)OC ZINC000010386675 211169727 /nfs/dbraw/zinc/16/97/27/211169727.db2.gz BBRXCKSDDOKUPD-UHFFFAOYSA-N 1 2 347.806 2.808 50 0 EFAALO C[C@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095357373 218290953 /nfs/dbraw/zinc/29/09/53/218290953.db2.gz PJVFINURGWKDSL-OAHLLOKOSA-N 1 2 341.459 2.532 50 0 EFAALO Cc1noc2nc(C)nc(N(C)CCc3[nH]c4ccc(F)cc4[nH+]3)c12 ZINC000095367405 218300563 /nfs/dbraw/zinc/30/05/63/218300563.db2.gz FSADTDZNKNSZGW-UHFFFAOYSA-N 1 2 340.362 2.929 50 0 EFAALO CCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccco3)C2=O)cc1 ZINC000004866290 210306639 /nfs/dbraw/zinc/30/66/39/210306639.db2.gz GQEQQLHHZANKNH-QGZVFWFLSA-N 1 2 342.395 2.880 50 0 EFAALO COC[C@@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097272492 219007923 /nfs/dbraw/zinc/00/79/23/219007923.db2.gz BLRDLIPGPWPNDS-KRWDZBQOSA-N 1 2 336.395 2.931 50 0 EFAALO Cc1cc(C)n(CCNC(=O)Cn2c3ccccc3[nH+]c2C2CC2)n1 ZINC000097370477 219015517 /nfs/dbraw/zinc/01/55/17/219015517.db2.gz MSEJYLJDTFPJSY-UHFFFAOYSA-N 1 2 337.427 2.543 50 0 EFAALO Cc1cc(C[N@@H+](C)Cc2c(Cl)n(C)nc2-c2cc(C)on2)on1 ZINC000097474862 219028502 /nfs/dbraw/zinc/02/85/02/219028502.db2.gz GXPLLNDBQUBQII-UHFFFAOYSA-N 1 2 335.795 2.965 50 0 EFAALO Cc1cc(C[N@H+](C)Cc2c(Cl)n(C)nc2-c2cc(C)on2)on1 ZINC000097474862 219028504 /nfs/dbraw/zinc/02/85/04/219028504.db2.gz GXPLLNDBQUBQII-UHFFFAOYSA-N 1 2 335.795 2.965 50 0 EFAALO Cc1ncsc1CCN(C)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000426612555 257961222 /nfs/dbraw/zinc/96/12/22/257961222.db2.gz 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ZINC000299798831 258102247 /nfs/dbraw/zinc/10/22/47/258102247.db2.gz UUJUYVQYIURSLU-UHFFFAOYSA-N 1 2 347.394 2.614 50 0 EFAALO CCc1ccccc1C[N@@H+]1CCn2nc(CNc3cnccn3)cc2C1 ZINC000299798953 258102591 /nfs/dbraw/zinc/10/25/91/258102591.db2.gz TYVOKOZAFSZETB-UHFFFAOYSA-N 1 2 348.454 2.863 50 0 EFAALO CCc1ccccc1C[N@H+]1CCn2nc(CNc3cnccn3)cc2C1 ZINC000299798953 258102592 /nfs/dbraw/zinc/10/25/92/258102592.db2.gz TYVOKOZAFSZETB-UHFFFAOYSA-N 1 2 348.454 2.863 50 0 EFAALO Cc1cc(C)n(-c2cccc(-c3[nH+]ccn3C[C@@H]3CCC(=O)N3C)c2)n1 ZINC000072477800 258065018 /nfs/dbraw/zinc/06/50/18/258065018.db2.gz OLNQPAOYTJBIGY-SFHVURJKSA-N 1 2 349.438 2.973 50 0 EFAALO C[N@H+](CC(=O)NCc1nc(C(C)(C)C)cs1)Cc1cccnc1 ZINC000299761521 258078368 /nfs/dbraw/zinc/07/83/68/258078368.db2.gz UFYKPAGHYANPPB-UHFFFAOYSA-N 1 2 332.473 2.584 50 0 EFAALO C[N@@H+](CC(=O)NCc1nc(C(C)(C)C)cs1)Cc1cccnc1 ZINC000299761521 258078370 /nfs/dbraw/zinc/07/83/70/258078370.db2.gz UFYKPAGHYANPPB-UHFFFAOYSA-N 1 2 332.473 2.584 50 0 EFAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000052537528 132184486 /nfs/dbraw/zinc/18/44/86/132184486.db2.gz HVYPDDQIDBTPSM-UHFFFAOYSA-N 1 2 331.366 2.726 50 0 EFAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NCCC1=CCCCC1 ZINC000055060324 132193413 /nfs/dbraw/zinc/19/34/13/132193413.db2.gz XIPBDKSYOWLFDL-UHFFFAOYSA-N 1 2 345.462 2.954 50 0 EFAALO C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000055565604 132196196 /nfs/dbraw/zinc/19/61/96/132196196.db2.gz FCOYXZKCYJECPG-HNNXBMFYSA-N 1 2 327.403 2.975 50 0 EFAALO COc1ccc2[nH]c(=O)c(C3N4CC5(C)C[NH+]3CC(C)(C4)C5)cc2c1 ZINC000079189429 286384815 /nfs/dbraw/zinc/38/48/15/286384815.db2.gz XNEOLKGIXPKBJN-UHFFFAOYSA-N 1 2 339.439 2.583 50 0 biogenic EFAALO CCCCCSc1nc2ccccc2n1Cc1nc(N)nc(N)[nH+]1 ZINC000007001860 544421288 /nfs/dbraw/zinc/42/12/88/544421288.db2.gz GHWPLJOYDCOFCB-UHFFFAOYSA-N 1 2 343.460 2.716 50 0 EFAALO CC(=O)Nc1ccccc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000065421904 277090036 /nfs/dbraw/zinc/09/00/36/277090036.db2.gz BDCGLVPRAIVKHP-UHFFFAOYSA-N 1 2 338.411 2.643 50 0 EFAALO CC(=O)Nc1ccccc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000065421904 277090038 /nfs/dbraw/zinc/09/00/38/277090038.db2.gz BDCGLVPRAIVKHP-UHFFFAOYSA-N 1 2 338.411 2.643 50 0 EFAALO CC(C)c1noc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)n1 ZINC000072152240 278111490 /nfs/dbraw/zinc/11/14/90/278111490.db2.gz HMDWTIGAQYGTRZ-UHFFFAOYSA-N 1 2 340.427 2.703 50 0 EFAALO CC(C)n1ccnc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082134607 278134660 /nfs/dbraw/zinc/13/46/60/278134660.db2.gz ALUPINMNPVBOMT-UHFFFAOYSA-N 1 2 339.443 2.863 50 0 EFAALO Cc1nnc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc(F)ccc2F)[nH]1 ZINC000244773705 279058459 /nfs/dbraw/zinc/05/84/59/279058459.db2.gz PEYSPUNIDRYESZ-AWEZNQCLSA-N 1 2 335.358 2.557 50 0 EFAALO Cc1nnc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc(F)ccc2F)[nH]1 ZINC000244773705 279058462 /nfs/dbraw/zinc/05/84/62/279058462.db2.gz PEYSPUNIDRYESZ-AWEZNQCLSA-N 1 2 335.358 2.557 50 0 EFAALO O=C1CC[C@]2(CCCO2)CCN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000071575848 280261594 /nfs/dbraw/zinc/26/15/94/280261594.db2.gz OVMDJOIHSXKKSU-HXUWFJFHSA-N 1 2 339.439 2.993 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1Cc3ccc(C)cc3S1)C2 ZINC000097198048 292845717 /nfs/dbraw/zinc/84/57/17/292845717.db2.gz NXUUBRDAUUXTCU-GDBMZVCRSA-N 1 2 327.453 2.648 50 0 EFAALO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000001246115 295023984 /nfs/dbraw/zinc/02/39/84/295023984.db2.gz GDNXMYHQDITEBI-VHSXEESVSA-N 1 2 337.253 2.647 50 0 EFAALO COc1ccc(C2N3CC4(C(C)C)C[NH+]2CC(C(C)C)(C3)C4O)cc1 ZINC000019320198 295114766 /nfs/dbraw/zinc/11/47/66/295114766.db2.gz XTVYRHDOXIWBHD-UHFFFAOYSA-N 1 2 344.499 2.984 50 0 biogenic EFAALO COc1ccc(F)cc1[C@@H]1CC(=O)NCc2[nH+]c3c(C)cccn3c21 ZINC000065399059 295151813 /nfs/dbraw/zinc/15/18/13/295151813.db2.gz OFZBHPZKQIHFHX-AWEZNQCLSA-N 1 2 339.370 2.942 50 0 EFAALO CNc1cc(C)[nH+]c(-c2cccc(C(=O)NCC3CCOCC3)c2)n1 ZINC000534658131 468270744 /nfs/dbraw/zinc/27/07/44/468270744.db2.gz RBCBBSMDMOUYKG-UHFFFAOYSA-N 1 2 340.427 2.650 50 0 EFAALO Cc1cc(C)n(C[C@H](C)n2ccnc2C(C)(C)C[NH+]2CCOCC2)n1 ZINC000071388562 472549044 /nfs/dbraw/zinc/54/90/44/472549044.db2.gz AHVXSYDRSBSGAD-KRWDZBQOSA-N 1 2 345.491 2.567 50 0 EFAALO Cc1cc(C)n(C[C@H](C)n2cc[nH+]c2C(C)(C)CN2CCOCC2)n1 ZINC000071388562 472549049 /nfs/dbraw/zinc/54/90/49/472549049.db2.gz AHVXSYDRSBSGAD-KRWDZBQOSA-N 1 2 345.491 2.567 50 0 EFAALO Nc1cc(N2CCC[C@@](CO)(CCCc3ccccc3)C2)[nH+]cn1 ZINC000071315684 472549312 /nfs/dbraw/zinc/54/93/12/472549312.db2.gz ZOTMPAOQJWQQTF-IBGZPJMESA-N 1 2 326.444 2.661 50 0 EFAALO O=C(Cc1cccc(O)c1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095499998 473213819 /nfs/dbraw/zinc/21/38/19/473213819.db2.gz QSYJIZCLEALEMS-UHFFFAOYSA-N 1 2 339.439 2.947 50 0 EFAALO O=C(c1nc2ccc(Cl)cn2c1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095503485 473214384 /nfs/dbraw/zinc/21/43/84/473214384.db2.gz VQRFVSXTNFBVMA-JTQLQIEISA-N 1 2 347.781 2.870 50 0 EFAALO CCc1nnc(CN(CC)C(=O)Cn2cc[nH+]c2-c2ccccc2)o1 ZINC000095506993 473215741 /nfs/dbraw/zinc/21/57/41/473215741.db2.gz ULGCKOPISSZRNR-UHFFFAOYSA-N 1 2 339.399 2.544 50 0 EFAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 ZINC000095506017 473215761 /nfs/dbraw/zinc/21/57/61/473215761.db2.gz OSWNVAOHKUQZTH-AWEZNQCLSA-N 1 2 346.431 2.661 50 0 EFAALO OC1CCN(c2cc(N3CC[C@H](c4ccc(F)cc4)C3)nc[nH+]2)CC1 ZINC000095503798 473215841 /nfs/dbraw/zinc/21/58/41/473215841.db2.gz DLTMZOSZGGQBSF-HNNXBMFYSA-N 1 2 342.418 2.571 50 0 EFAALO OC1CCN(c2cc(N3CC[C@H](c4ccc(F)cc4)C3)[nH+]cn2)CC1 ZINC000095503798 473215843 /nfs/dbraw/zinc/21/58/43/473215843.db2.gz DLTMZOSZGGQBSF-HNNXBMFYSA-N 1 2 342.418 2.571 50 0 EFAALO Cc1[nH]c2c(c1C(=O)N1CCC(c3[nH+]ccn3C)CC1)C(=O)CCC2 ZINC000095518403 473219386 /nfs/dbraw/zinc/21/93/86/473219386.db2.gz KZFLIUSXOLNPQY-UHFFFAOYSA-N 1 2 340.427 2.595 50 0 EFAALO Cc1noc2nc(C)cc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)c12 ZINC000095523589 473219985 /nfs/dbraw/zinc/21/99/85/473219985.db2.gz BTFGGFJOYHKANT-ZDUSSCGKSA-N 1 2 339.399 2.593 50 0 EFAALO CC(C)Cn1c[nH+]cc1CNC(=O)[C@H]1CCOc2ccccc2C1 ZINC000095522728 473220359 /nfs/dbraw/zinc/22/03/59/473220359.db2.gz OKCVHHXGIVZFJZ-INIZCTEOSA-N 1 2 327.428 2.797 50 0 EFAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000095530681 473222346 /nfs/dbraw/zinc/22/23/46/473222346.db2.gz NWCKKYJTQCRSRU-UHFFFAOYSA-N 1 2 348.834 2.598 50 0 EFAALO Cc1cn2cc(C(=O)NCc3cnn(Cc4ccccc4)c3)ccc2[nH+]1 ZINC000082091460 473285731 /nfs/dbraw/zinc/28/57/31/473285731.db2.gz GBUIAZZSBTZPIQ-UHFFFAOYSA-N 1 2 345.406 2.818 50 0 EFAALO O=C1NCCCC[C@H]1n1cc[nH+]c1-c1ccccc1Cn1cccn1 ZINC000082107154 473289830 /nfs/dbraw/zinc/28/98/30/473289830.db2.gz ISPNCVFWPUAUIL-QGZVFWFLSA-N 1 2 335.411 2.636 50 0 EFAALO CCn1nc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc1C ZINC000082138900 473295624 /nfs/dbraw/zinc/29/56/24/473295624.db2.gz MTTDBEDSNOLLLD-MRXNPFEDSA-N 1 2 341.459 2.838 50 0 EFAALO O=C(c1cccnn1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082139123 473296097 /nfs/dbraw/zinc/29/60/97/473296097.db2.gz JSIGGFDZSRIJFE-QGZVFWFLSA-N 1 2 347.422 2.741 50 0 EFAALO CCCc1n[nH]cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082161285 473296941 /nfs/dbraw/zinc/29/69/41/473296941.db2.gz CSUJDVPVGAGXBM-OAHLLOKOSA-N 1 2 341.459 2.989 50 0 EFAALO Cc1ccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1F ZINC000096121403 473307045 /nfs/dbraw/zinc/30/70/45/473307045.db2.gz OMKHYRCMHGERQP-UHFFFAOYSA-N 1 2 332.383 2.700 50 0 EFAALO O=C(Nc1ccc2n[nH]nc2c1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000096166718 473322452 /nfs/dbraw/zinc/32/24/52/473322452.db2.gz WVNKKUJPMCRUKT-CQSZACIVSA-N 1 2 339.403 2.631 50 0 EFAALO O=C(Nc1ccc2[nH]nnc2c1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000096166718 473322461 /nfs/dbraw/zinc/32/24/61/473322461.db2.gz WVNKKUJPMCRUKT-CQSZACIVSA-N 1 2 339.403 2.631 50 0 EFAALO Cc1nc(C[N@@H+]2C[C@@H]3C[NH+](C4CCCC4)C[C@]3(C(=O)[O-])C2)c(C)s1 ZINC000096179854 473322644 /nfs/dbraw/zinc/32/26/44/473322644.db2.gz VTAIIELOROJOPH-RDTXWAMCSA-N 1 2 349.500 2.521 50 0 EFAALO Cc1nc(C[N@H+]2C[C@@H]3C[NH+](C4CCCC4)C[C@]3(C(=O)[O-])C2)c(C)s1 ZINC000096179854 473322654 /nfs/dbraw/zinc/32/26/54/473322654.db2.gz VTAIIELOROJOPH-RDTXWAMCSA-N 1 2 349.500 2.521 50 0 EFAALO Cc1nc(C[NH+]2C[C@@H]3C[N@@H+](C4CCCC4)C[C@]3(C(=O)[O-])C2)c(C)s1 ZINC000096179854 473322663 /nfs/dbraw/zinc/32/26/63/473322663.db2.gz VTAIIELOROJOPH-RDTXWAMCSA-N 1 2 349.500 2.521 50 0 EFAALO Cc1nc(C[NH+]2C[C@@H]3C[N@H+](C4CCCC4)C[C@]3(C(=O)[O-])C2)c(C)s1 ZINC000096179854 473322670 /nfs/dbraw/zinc/32/26/70/473322670.db2.gz VTAIIELOROJOPH-RDTXWAMCSA-N 1 2 349.500 2.521 50 0 EFAALO COc1ccccc1C[N@@H+]1CCN(Cc2cccs2)[C@H](CCO)C1 ZINC000096402904 473378589 /nfs/dbraw/zinc/37/85/89/473378589.db2.gz ZROCGUGVUSBMIB-QGZVFWFLSA-N 1 2 346.496 2.826 50 0 EFAALO COc1ccccc1C[N@H+]1CCN(Cc2cccs2)[C@H](CCO)C1 ZINC000096402904 473378593 /nfs/dbraw/zinc/37/85/93/473378593.db2.gz ZROCGUGVUSBMIB-QGZVFWFLSA-N 1 2 346.496 2.826 50 0 EFAALO COC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C)CC1)CCC2 ZINC000000089999 471321446 /nfs/dbraw/zinc/32/14/46/471321446.db2.gz SYZRXCPKEKVGRK-UHFFFAOYSA-N 1 2 336.457 2.694 50 0 EFAALO NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[NH+]1CCCCC1 ZINC000000090100 471321473 /nfs/dbraw/zinc/32/14/73/471321473.db2.gz UJRLZGIGEHBNPG-UHFFFAOYSA-N 1 2 343.452 2.938 50 0 EFAALO CC(C)c1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000133503 471327380 /nfs/dbraw/zinc/32/73/80/471327380.db2.gz LNURAGQYBJAKSG-UHFFFAOYSA-N 1 2 338.455 2.966 50 0 EFAALO COC(=O)c1ccc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000000243141 471340478 /nfs/dbraw/zinc/34/04/78/471340478.db2.gz PEANRFKFFVOHKA-HNNXBMFYSA-N 1 2 340.379 2.571 50 0 EFAALO CCOC(=O)C1CCN(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000000469716 471364498 /nfs/dbraw/zinc/36/44/98/471364498.db2.gz RQHIUQKMAKDNOW-UHFFFAOYSA-N 1 2 344.415 2.689 50 0 EFAALO O=C(COc1ccc(Cl)cc1Cl)NCCCn1cc[nH+]c1 ZINC000001815358 471399359 /nfs/dbraw/zinc/39/93/59/471399359.db2.gz YCLREWVHQXDHRI-UHFFFAOYSA-N 1 2 328.199 2.775 50 0 aggregator EFAALO O=C(/C=C/c1ccc(Br)cc1)NCCCn1cc[nH+]c1 ZINC000002754597 471419160 /nfs/dbraw/zinc/41/91/60/471419160.db2.gz JIYWBBKALFSBQW-QPJJXVBHSA-N 1 2 334.217 2.865 50 0 EFAALO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004699244 471472299 /nfs/dbraw/zinc/47/22/99/471472299.db2.gz CFHGPCQHBSIDDT-AWEZNQCLSA-N 1 2 345.830 2.851 50 0 EFAALO COC(=O)C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCCC1 ZINC000004770166 471473989 /nfs/dbraw/zinc/47/39/89/471473989.db2.gz XQWSOOJTIAEFKK-GFCCVEGCSA-N 1 2 345.226 2.959 50 0 EFAALO O=C(c1csc2c1CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000005127268 471488251 /nfs/dbraw/zinc/48/82/51/471488251.db2.gz AKWKGKOERQPXQU-UHFFFAOYSA-N 1 2 327.453 2.984 50 0 EFAALO c1ccc(N2CCN(c3ncnc4c5ccccc5[nH]c43)CC2)[nH+]c1 ZINC000005218846 471492966 /nfs/dbraw/zinc/49/29/66/471492966.db2.gz ASWRPDYMCAZWTN-UHFFFAOYSA-N 1 2 330.395 2.833 50 0 EFAALO Cc1[nH]c2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2[nH+]1 ZINC000010656903 471740326 /nfs/dbraw/zinc/74/03/26/471740326.db2.gz GTGPHTVGISKCLC-UHFFFAOYSA-N 1 2 347.378 2.679 50 0 EFAALO COc1ccc(-n2ncc3c2ncnc3NCCCn2cc[nH+]c2)cc1 ZINC000013115833 471816125 /nfs/dbraw/zinc/81/61/25/471816125.db2.gz GGFNTNFAOUSLAS-UHFFFAOYSA-N 1 2 349.398 2.523 50 0 EFAALO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000013331707 471825919 /nfs/dbraw/zinc/82/59/19/471825919.db2.gz TWPQGOVKYMYAIH-UHFFFAOYSA-N 1 2 342.370 2.512 50 0 EFAALO O=C(c1ccc2c(c1)OCO2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000013327343 471826323 /nfs/dbraw/zinc/82/63/23/471826323.db2.gz SNIOBRZBTOXLLO-UHFFFAOYSA-N 1 2 342.370 2.512 50 0 EFAALO COc1ccc(C)cc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000013325194 471826533 /nfs/dbraw/zinc/82/65/33/471826533.db2.gz PPOBQQBBSFKPSH-UHFFFAOYSA-N 1 2 340.427 2.748 50 0 EFAALO Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)[nH]n2)cc1 ZINC000013366589 471827320 /nfs/dbraw/zinc/82/73/20/471827320.db2.gz DIWLKZGSVCWOGX-UHFFFAOYSA-N 1 2 347.422 2.743 50 0 EFAALO O=C(NCCCn1cc[nH+]c1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000013722826 471841361 /nfs/dbraw/zinc/84/13/61/471841361.db2.gz WPQNMFJKZCKFJK-UHFFFAOYSA-N 1 2 337.305 2.598 50 0 EFAALO CCOC(=O)c1nn(CCCc2ccccc2)c2c1C[N@H+](C)CC2 ZINC000014748280 471878993 /nfs/dbraw/zinc/87/89/93/471878993.db2.gz KKFHSNFUGJIXEF-UHFFFAOYSA-N 1 2 327.428 2.681 50 0 EFAALO CCOC(=O)c1nn(CCCc2ccccc2)c2c1C[N@@H+](C)CC2 ZINC000014748280 471878999 /nfs/dbraw/zinc/87/89/99/471878999.db2.gz KKFHSNFUGJIXEF-UHFFFAOYSA-N 1 2 327.428 2.681 50 0 EFAALO COc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc2c1OCO2 ZINC000014955599 471883323 /nfs/dbraw/zinc/88/33/23/471883323.db2.gz CPRZASAQWWNAGT-KRWDZBQOSA-N 1 2 341.407 2.867 50 0 EFAALO COc1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc2c1OCO2 ZINC000014955599 471883329 /nfs/dbraw/zinc/88/33/29/471883329.db2.gz CPRZASAQWWNAGT-KRWDZBQOSA-N 1 2 341.407 2.867 50 0 EFAALO Cc1nc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000015879941 471919962 /nfs/dbraw/zinc/91/99/62/471919962.db2.gz XYSVIVPHPSBMLI-UHFFFAOYSA-N 1 2 334.423 2.829 50 0 EFAALO CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000017070834 471955458 /nfs/dbraw/zinc/95/54/58/471955458.db2.gz YEKWWBZJSXXNPF-UHFFFAOYSA-N 1 2 337.272 2.710 50 0 EFAALO O=C(OCC[NH+]1CCOCC1)C1c2ccccc2Oc2ccccc21 ZINC000019375090 471979782 /nfs/dbraw/zinc/97/97/82/471979782.db2.gz MXFBFJAVHNETNY-UHFFFAOYSA-N 1 2 339.391 2.800 50 0 EFAALO Brc1cccc(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000019537634 471981248 /nfs/dbraw/zinc/98/12/48/471981248.db2.gz NSGCPCHWOFJAAH-UHFFFAOYSA-N 1 2 333.233 2.561 50 0 EFAALO Cc1nc(N2CCc3c(cnc(C)c3-c3noc(C4CC4)n3)C2)cc[nH+]1 ZINC000020136854 471986645 /nfs/dbraw/zinc/98/66/45/471986645.db2.gz HVVNTRFBVKCQPB-UHFFFAOYSA-N 1 2 348.410 2.979 50 0 EFAALO Cc1ncc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)s1 ZINC000036385595 472001936 /nfs/dbraw/zinc/00/19/36/472001936.db2.gz NZEVGRHVHLOISI-QGZVFWFLSA-N 1 2 349.475 2.659 50 0 EFAALO Cc1ncc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)s1 ZINC000036385595 472001942 /nfs/dbraw/zinc/00/19/42/472001942.db2.gz NZEVGRHVHLOISI-QGZVFWFLSA-N 1 2 349.475 2.659 50 0 EFAALO Cc1ncc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)s1 ZINC000036385595 472001945 /nfs/dbraw/zinc/00/19/45/472001945.db2.gz NZEVGRHVHLOISI-QGZVFWFLSA-N 1 2 349.475 2.659 50 0 EFAALO Cc1ncc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)s1 ZINC000036385595 472001948 /nfs/dbraw/zinc/00/19/48/472001948.db2.gz NZEVGRHVHLOISI-QGZVFWFLSA-N 1 2 349.475 2.659 50 0 EFAALO CCC(=O)Nc1ccc(Nc2cc(N3CCOCC3)[nH+]c(C)n2)cc1 ZINC000021794395 472004014 /nfs/dbraw/zinc/00/40/14/472004014.db2.gz NMIXEBJNPVNDSC-UHFFFAOYSA-N 1 2 341.415 2.714 50 0 EFAALO Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCOCC2)cc1 ZINC000023973520 472041460 /nfs/dbraw/zinc/04/14/60/472041460.db2.gz SRLFTQVKPYSRSG-LJQANCHMSA-N 1 2 342.414 2.937 50 0 EFAALO c1[nH]c2c([nH+]1)CCN(Cc1cccnc1)[C@H]2c1ccc2c(c1)OCCO2 ZINC000067587704 472053512 /nfs/dbraw/zinc/05/35/12/472053512.db2.gz GKWICQYYNGSJRY-FQEVSTJZSA-N 1 2 348.406 2.724 50 0 EFAALO Cc1ccc2[nH]c(=O)c(C[NH+]3CCN(C(=O)C(C)(C)C)CC3)cc2c1 ZINC000041376950 472059669 /nfs/dbraw/zinc/05/96/69/472059669.db2.gz LHHLMRJDRVDPSO-UHFFFAOYSA-N 1 2 341.455 2.527 50 0 EFAALO Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCc3ccccc3C2)[nH]n1 ZINC000067714867 472078068 /nfs/dbraw/zinc/07/80/68/472078068.db2.gz KLEDBKZVGQHBJB-UHFFFAOYSA-N 1 2 347.422 2.606 50 0 EFAALO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC ZINC000025757754 472110674 /nfs/dbraw/zinc/11/06/74/472110674.db2.gz WAOQONBSWFLFPE-VIFPVBQESA-N 1 2 347.242 2.922 50 0 world EFAALO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC ZINC000025757754 472110677 /nfs/dbraw/zinc/11/06/77/472110677.db2.gz WAOQONBSWFLFPE-VIFPVBQESA-N 1 2 347.242 2.922 50 0 world EFAALO O=C(NCC[NH+]1CCOCC1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000026380222 472134104 /nfs/dbraw/zinc/13/41/04/472134104.db2.gz VEXPGLFCDLVJOU-IBGZPJMESA-N 1 2 330.472 2.799 50 0 EFAALO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000055183339 472149930 /nfs/dbraw/zinc/14/99/30/472149930.db2.gz MKINZIJVTZNKHY-TWJKGYNYSA-N 1 2 346.515 2.916 50 0 EFAALO CN(C)c1cccc(C(=O)NCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000043975638 472277144 /nfs/dbraw/zinc/27/71/44/472277144.db2.gz YRQHDNMKUKDIKZ-UHFFFAOYSA-N 1 2 338.455 2.794 50 0 EFAALO COc1c2c(c(NC(=O)C3CCCC3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032124535 472415465 /nfs/dbraw/zinc/41/54/65/472415465.db2.gz QNAVCRWJIYMJSE-UHFFFAOYSA-N 1 2 332.400 2.541 50 0 biogenic EFAALO COc1c2c(c(NC(=O)C3CCCC3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032124535 472415474 /nfs/dbraw/zinc/41/54/74/472415474.db2.gz QNAVCRWJIYMJSE-UHFFFAOYSA-N 1 2 332.400 2.541 50 0 biogenic EFAALO Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000057530869 472448969 /nfs/dbraw/zinc/44/89/69/472448969.db2.gz HWYSGACSOJQEIK-UHFFFAOYSA-N 1 2 347.459 2.923 50 0 EFAALO O=C(NCc1ccc(Cl)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128601045 472472826 /nfs/dbraw/zinc/47/28/26/472472826.db2.gz HCEZOTDNLPBDAN-OAHLLOKOSA-N 1 2 330.819 2.813 50 0 EFAALO O=C(NCc1ccc(Cl)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128600814 472473513 /nfs/dbraw/zinc/47/35/13/472473513.db2.gz HCEZOTDNLPBDAN-HNNXBMFYSA-N 1 2 330.819 2.813 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1Cc3ccc(C)cc3S1)C2 ZINC000097198050 472473765 /nfs/dbraw/zinc/47/37/65/472473765.db2.gz NXUUBRDAUUXTCU-GOEBONIOSA-N 1 2 327.453 2.648 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1COc3ccc(Cl)cc3C1)C2 ZINC000097198531 472474475 /nfs/dbraw/zinc/47/44/75/472474475.db2.gz ZOUKIZIZEZLROP-HIFRSBDPSA-N 1 2 345.830 2.527 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(C3CC3)nn1C(C)(C)C)C2 ZINC000097199028 472475101 /nfs/dbraw/zinc/47/51/01/472475101.db2.gz XWPUQFVMTSQGND-CQSZACIVSA-N 1 2 341.459 2.765 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(C3CC3)nn1C(C)(C)C)C2 ZINC000097199027 472475204 /nfs/dbraw/zinc/47/52/04/472475204.db2.gz XWPUQFVMTSQGND-AWEZNQCLSA-N 1 2 341.459 2.765 50 0 EFAALO COCc1c2ccccc2oc1C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000097198692 472475575 /nfs/dbraw/zinc/47/55/75/472475575.db2.gz RWMNCCOJQABTPH-CYBMUJFWSA-N 1 2 339.395 2.829 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1COc3ccc(Cl)cc3C1)C2 ZINC000097198533 472475630 /nfs/dbraw/zinc/47/56/30/472475630.db2.gz ZOUKIZIZEZLROP-ZFWWWQNUSA-N 1 2 345.830 2.527 50 0 EFAALO c1ccc(Cc2noc(C[N@H+]3CC[C@H](CNc4ccccn4)C3)n2)cc1 ZINC000097200699 472477338 /nfs/dbraw/zinc/47/73/38/472477338.db2.gz CVTZPSSIKDOSPU-QGZVFWFLSA-N 1 2 349.438 2.989 50 0 EFAALO c1ccc(Cc2noc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)n2)cc1 ZINC000097200699 472477343 /nfs/dbraw/zinc/47/73/43/472477343.db2.gz CVTZPSSIKDOSPU-QGZVFWFLSA-N 1 2 349.438 2.989 50 0 EFAALO COC[C@H](c1ccccn1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097213245 472481559 /nfs/dbraw/zinc/48/15/59/472481559.db2.gz NLQUEGUDYHHHDU-GOSISDBHSA-N 1 2 336.395 2.727 50 0 EFAALO Cc1nc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 ZINC000077337845 472506291 /nfs/dbraw/zinc/50/62/91/472506291.db2.gz OIJRTCSLKKBCHY-GOSISDBHSA-N 1 2 334.464 2.629 50 0 EFAALO Cc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 ZINC000077337845 472506297 /nfs/dbraw/zinc/50/62/97/472506297.db2.gz OIJRTCSLKKBCHY-GOSISDBHSA-N 1 2 334.464 2.629 50 0 EFAALO CC(C)OC(=O)N1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000077343049 472507452 /nfs/dbraw/zinc/50/74/52/472507452.db2.gz UHCTZAMZIHOPPH-OAHLLOKOSA-N 1 2 349.479 2.525 50 0 EFAALO CCCC[C@@H]1C(=O)N(C)CCN1Cc1c[nH+]c(CC2CCCC2)[nH]1 ZINC000077342279 472507565 /nfs/dbraw/zinc/50/75/65/472507565.db2.gz BHVNWUZGOLOLFB-QGZVFWFLSA-N 1 2 332.492 2.975 50 0 EFAALO CCCC[C@@H]1C(=O)N(C)CCN1Cc1c[nH]c(CC2CCCC2)[nH+]1 ZINC000077342279 472507572 /nfs/dbraw/zinc/50/75/72/472507572.db2.gz BHVNWUZGOLOLFB-QGZVFWFLSA-N 1 2 332.492 2.975 50 0 EFAALO O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077356304 472510905 /nfs/dbraw/zinc/51/09/05/472510905.db2.gz XBONPCQAKZRIRU-CQSZACIVSA-N 1 2 348.410 2.963 50 0 EFAALO O=C(CC[C@@H]1CCCO1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000046122849 472515610 /nfs/dbraw/zinc/51/56/10/472515610.db2.gz MLFAZNCYBPJONU-AMGQUURNSA-N 1 2 328.456 2.803 50 0 EFAALO CCc1c[nH+]c(C)nc1N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077420279 472525166 /nfs/dbraw/zinc/52/51/66/472525166.db2.gz GRFVRVRXAINTQB-HXUWFJFHSA-N 1 2 342.487 2.966 50 0 EFAALO CCCC[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(OC)c(C)c1OC ZINC000077436262 472525564 /nfs/dbraw/zinc/52/55/64/472525564.db2.gz YSRNHSDCNUQBCN-MRXNPFEDSA-N 1 2 334.460 2.845 50 0 EFAALO CCCC[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(OC)c(C)c1OC ZINC000077436262 472525569 /nfs/dbraw/zinc/52/55/69/472525569.db2.gz YSRNHSDCNUQBCN-MRXNPFEDSA-N 1 2 334.460 2.845 50 0 EFAALO CC(C)C[C@H](O)C1CCN(c2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000077427451 472525973 /nfs/dbraw/zinc/52/59/73/472525973.db2.gz NATRRGOYEQGDDN-SFHVURJKSA-N 1 2 328.460 2.950 50 0 EFAALO O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077470558 472532453 /nfs/dbraw/zinc/53/24/53/472532453.db2.gz SWIFJTGEHHTCQK-ZDUSSCGKSA-N 1 2 339.374 2.959 50 0 EFAALO CC(C)c1nc(CCn2cc[nH+]c2-c2ccc(N(C)C)nc2)no1 ZINC000077519282 472546390 /nfs/dbraw/zinc/54/63/90/472546390.db2.gz GKSXKLSVWCZXQQ-UHFFFAOYSA-N 1 2 326.404 2.760 50 0 EFAALO C[C@H](c1[nH+]ccn1-c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000071614483 472554941 /nfs/dbraw/zinc/55/49/41/472554941.db2.gz SHXLPUKZFIHOHC-ZDUSSCGKSA-N 1 2 327.409 2.672 50 0 EFAALO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000071745323 472556443 /nfs/dbraw/zinc/55/64/43/472556443.db2.gz CWZAWWHHTZOZOM-GOSISDBHSA-N 1 2 338.455 2.518 50 0 EFAALO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000071745323 472556450 /nfs/dbraw/zinc/55/64/50/472556450.db2.gz CWZAWWHHTZOZOM-GOSISDBHSA-N 1 2 338.455 2.518 50 0 EFAALO Cc1[nH]c2cc(-c3nn4c(nnc4[C@@H]4CCCO4)s3)ccc2[nH+]1 ZINC000071746568 472557577 /nfs/dbraw/zinc/55/75/77/472557577.db2.gz YOQAALBLZCPXDW-LBPRGKRZSA-N 1 2 326.385 2.889 50 0 EFAALO COCCN1C[C@H](Cn2cc[nH+]c2-c2ccccc2SC)CC1=O ZINC000071753313 472560462 /nfs/dbraw/zinc/56/04/62/472560462.db2.gz MUBKHFJVYMLALM-CQSZACIVSA-N 1 2 345.468 2.767 50 0 EFAALO NC(=O)COc1ccc(Cl)cc1-c1[nH+]ccn1C[C@H]1CCCCO1 ZINC000071765343 472562969 /nfs/dbraw/zinc/56/29/69/472562969.db2.gz UBPYGCSCXRGALS-CYBMUJFWSA-N 1 2 349.818 2.637 50 0 EFAALO COc1ccc(-c2nc(C[N@@H+]3CCNC(=O)CC3)c(C)o2)c(C)c1C ZINC000071765407 472563536 /nfs/dbraw/zinc/56/35/36/472563536.db2.gz RUNAFRVVYTVAFA-UHFFFAOYSA-N 1 2 343.427 2.597 50 0 EFAALO COc1ccc(-c2nc(C[N@H+]3CCNC(=O)CC3)c(C)o2)c(C)c1C ZINC000071765407 472563543 /nfs/dbraw/zinc/56/35/43/472563543.db2.gz RUNAFRVVYTVAFA-UHFFFAOYSA-N 1 2 343.427 2.597 50 0 EFAALO CCOC(=O)C1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000061931343 472724561 /nfs/dbraw/zinc/72/45/61/472724561.db2.gz KTSNRJXQQYXGJU-UHFFFAOYSA-N 1 2 332.375 2.765 50 0 EFAALO Cc1ccc(OCC(=O)N2CCC(c3[nH+]ccn3C)CC2)cc1C ZINC000091270414 472750823 /nfs/dbraw/zinc/75/08/23/472750823.db2.gz HVUBVYTYQSQBHZ-UHFFFAOYSA-N 1 2 327.428 2.822 50 0 EFAALO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)[C@@]2(C1)c1ccccc1NC2=O ZINC000063110884 472753860 /nfs/dbraw/zinc/75/38/60/472753860.db2.gz LTHUKCPBBFCJFO-YWZLYKJASA-N 1 2 336.391 2.529 50 0 EFAALO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)[C@@]2(C1)c1ccccc1NC2=O ZINC000063110884 472753868 /nfs/dbraw/zinc/75/38/68/472753868.db2.gz LTHUKCPBBFCJFO-YWZLYKJASA-N 1 2 336.391 2.529 50 0 EFAALO CC[C@@H](NC(=O)c1cnn(-c2ccccc2OC)c1)c1[nH]cc(C)[nH+]1 ZINC000091305994 472754215 /nfs/dbraw/zinc/75/42/15/472754215.db2.gz OCYUGJHFWVSPCF-CQSZACIVSA-N 1 2 339.399 2.794 50 0 EFAALO Cc1cccn2c(CC(=O)N3CCC[C@@](CO)(CC4CC4)C3)c[nH+]c12 ZINC000091320361 472757909 /nfs/dbraw/zinc/75/79/09/472757909.db2.gz VHNYJPNOHLWWID-HXUWFJFHSA-N 1 2 341.455 2.586 50 0 EFAALO Cc1nnsc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091350919 472758673 /nfs/dbraw/zinc/75/86/73/472758673.db2.gz SJEUUYCYDUDVJD-GDBMZVCRSA-N 1 2 342.468 2.583 50 0 EFAALO Cc1nnsc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091350919 472758679 /nfs/dbraw/zinc/75/86/79/472758679.db2.gz SJEUUYCYDUDVJD-GDBMZVCRSA-N 1 2 342.468 2.583 50 0 EFAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc(O)c(F)c2)C1 ZINC000091635816 472788690 /nfs/dbraw/zinc/78/86/90/472788690.db2.gz SJKJIBFISUGTQF-AWEZNQCLSA-N 1 2 331.391 2.696 50 0 EFAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc2c1OCCO2 ZINC000063583145 472790040 /nfs/dbraw/zinc/79/00/40/472790040.db2.gz GXOIGQVWZSOHDA-UHFFFAOYSA-N 1 2 335.363 2.574 50 0 EFAALO CCN(Cc1nc(COC)no1)Cc1c(C)[nH+]c2ccc(Cl)cn21 ZINC000063870808 472822787 /nfs/dbraw/zinc/82/27/87/472822787.db2.gz YTNOZMZRGFGVEX-UHFFFAOYSA-N 1 2 349.822 2.848 50 0 EFAALO CC(C)Nc1cc(N2CCC(n3cc(C4CC4)nn3)CC2)nc[nH+]1 ZINC000063870533 472823718 /nfs/dbraw/zinc/82/37/18/472823718.db2.gz AKDIHWLKGFNKDF-UHFFFAOYSA-N 1 2 327.436 2.607 50 0 EFAALO CC(C)Nc1cc(N2CCC(n3cc(C4CC4)nn3)CC2)[nH+]cn1 ZINC000063870533 472823723 /nfs/dbraw/zinc/82/37/23/472823723.db2.gz AKDIHWLKGFNKDF-UHFFFAOYSA-N 1 2 327.436 2.607 50 0 EFAALO C[NH+](C)Cc1cn(C[C@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 ZINC000063881758 472824251 /nfs/dbraw/zinc/82/42/51/472824251.db2.gz MFTXUAKOSCMVBD-INIZCTEOSA-N 1 2 347.507 2.549 50 0 EFAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)NC1CCCCC1)OCCO3 ZINC000064795099 472875577 /nfs/dbraw/zinc/87/55/77/472875577.db2.gz PHPJPWPSKPJMTM-UHFFFAOYSA-N 1 2 343.427 2.819 50 0 EFAALO O=C(CCc1ccccc1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031349 472925312 /nfs/dbraw/zinc/92/53/12/472925312.db2.gz CLYBNBOOKHRIPQ-QGZVFWFLSA-N 1 2 344.480 2.559 50 0 EFAALO Cc1nn2cc(CNc3cc(C)[nH+]c(-c4cccnc4)n3)nc2s1 ZINC000065386158 472931501 /nfs/dbraw/zinc/93/15/01/472931501.db2.gz PHBQLDLWMMVYSD-UHFFFAOYSA-N 1 2 337.412 2.872 50 0 EFAALO Cc1nonc1OCCn1c[nH+]c(-c2ccccc2)c1[C@@H]1CCOC1 ZINC000065395240 472932627 /nfs/dbraw/zinc/93/26/27/472932627.db2.gz QESSJABTPRBEHN-OAHLLOKOSA-N 1 2 340.383 2.824 50 0 EFAALO C[C@@H](Nc1cc(N)[nH+]c(N2CCCC2)n1)c1cn2ccsc2n1 ZINC000065408984 472936973 /nfs/dbraw/zinc/93/69/73/472936973.db2.gz DJPJLQPIPZLEFL-SNVBAGLBSA-N 1 2 329.433 2.541 50 0 EFAALO C[C@@H](Nc1cc(N)nc(N2CCCC2)[nH+]1)c1cn2ccsc2n1 ZINC000065408984 472936977 /nfs/dbraw/zinc/93/69/77/472936977.db2.gz DJPJLQPIPZLEFL-SNVBAGLBSA-N 1 2 329.433 2.541 50 0 EFAALO Cc1nc(NC[C@H](c2cccnc2)N2CCOCC2)cc(C(C)C)[nH+]1 ZINC000065408592 472937105 /nfs/dbraw/zinc/93/71/05/472937105.db2.gz JJWFPVGUJFOIQD-GOSISDBHSA-N 1 2 341.459 2.789 50 0 EFAALO Cc1nc(N2CCC([C@@H](O)c3nccn3C)CC2)cc(C(C)C)[nH+]1 ZINC000065423466 472938797 /nfs/dbraw/zinc/93/87/97/472938797.db2.gz BVVVCGUTGQESEM-QGZVFWFLSA-N 1 2 329.448 2.592 50 0 EFAALO CCn1cc[nH+]c1CN(C)C(=O)c1c(C)n(C)c2ccc(OC)cc21 ZINC000065456223 472945830 /nfs/dbraw/zinc/94/58/30/472945830.db2.gz VZQRSLBGTMSJJW-UHFFFAOYSA-N 1 2 340.427 2.984 50 0 EFAALO O=C(C[NH2+]Cc1coc(-c2ccccc2)n1)NCc1ccccc1F ZINC000065493102 472956301 /nfs/dbraw/zinc/95/63/01/472956301.db2.gz RNIBVMQLIJHFFF-UHFFFAOYSA-N 1 2 339.370 2.887 50 0 EFAALO CCCn1ncc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)c1C ZINC000065527084 472967483 /nfs/dbraw/zinc/96/74/83/472967483.db2.gz ANDGZTVUPAKIRW-MRXNPFEDSA-N 1 2 329.448 2.883 50 0 EFAALO CN(Cc1cc(C2CC2)[nH]n1)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095354462 473191290 /nfs/dbraw/zinc/19/12/90/473191290.db2.gz GMJOGXHBVSOVSX-QGZVFWFLSA-N 1 2 330.407 2.688 50 0 EFAALO 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OCc1csc(N2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000096165742 473322028 /nfs/dbraw/zinc/32/20/28/473322028.db2.gz QXOBVJSZPUVROG-LBPRGKRZSA-N 1 2 328.441 2.971 50 0 EFAALO O=C(Nc1ccc2n[nH]nc2c1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000096166719 473323492 /nfs/dbraw/zinc/32/34/92/473323492.db2.gz WVNKKUJPMCRUKT-AWEZNQCLSA-N 1 2 339.403 2.631 50 0 EFAALO O=C(Nc1ccc2[nH]nnc2c1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000096166719 473323499 /nfs/dbraw/zinc/32/34/99/473323499.db2.gz WVNKKUJPMCRUKT-AWEZNQCLSA-N 1 2 339.403 2.631 50 0 EFAALO CCN(CC)C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000418965 471356632 /nfs/dbraw/zinc/35/66/32/471356632.db2.gz GIZMYFGQFZPJAZ-UHFFFAOYSA-N 1 2 341.440 2.776 50 0 EFAALO COc1ccc(-n2ncc3c2nc[nH+]c3NCc2cccnc2)cc1 ZINC000000426500 471359377 /nfs/dbraw/zinc/35/93/77/471359377.db2.gz KLVQBMKIYJLJAR-UHFFFAOYSA-N 1 2 332.367 2.831 50 0 EFAALO C[N@@H+]1CCc2c3ccccc3[nH]c2[C@H]1C1C(=O)OC(C)(C)OC1=O ZINC000004089764 471458425 /nfs/dbraw/zinc/45/84/25/471458425.db2.gz 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CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000004983879 471482200 /nfs/dbraw/zinc/48/22/00/471482200.db2.gz NLSGKSVGSQANDG-GFCCVEGCSA-N 1 2 347.440 2.510 50 0 EFAALO CC(C)Oc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000006434902 471545873 /nfs/dbraw/zinc/54/58/73/471545873.db2.gz BMHRHXUVILURTG-UHFFFAOYSA-N 1 2 325.412 2.831 50 0 EFAALO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1cccs1 ZINC000008899526 471707023 /nfs/dbraw/zinc/70/70/23/471707023.db2.gz LUDYPBFZGUBPIZ-CYBMUJFWSA-N 1 2 342.511 2.925 50 0 EFAALO COC(CNc1[nH+]cnc2c1cnn2-c1ccc(C)c(Cl)c1)OC ZINC000010386218 471734948 /nfs/dbraw/zinc/73/49/48/471734948.db2.gz XTCKCTBMKHTLQU-UHFFFAOYSA-N 1 2 347.806 2.808 50 0 EFAALO Cc1ncsc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011661452 471755945 /nfs/dbraw/zinc/75/59/45/471755945.db2.gz FKUWRFZAXVNHNA-CQSZACIVSA-N 1 2 333.432 2.985 50 0 EFAALO Cc1ncsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011661452 471755952 /nfs/dbraw/zinc/75/59/52/471755952.db2.gz FKUWRFZAXVNHNA-CQSZACIVSA-N 1 2 333.432 2.985 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)c1ccnc(N)c1 ZINC000011843438 471760349 /nfs/dbraw/zinc/76/03/49/471760349.db2.gz BCTGMIQKVCEVSS-UHFFFAOYSA-N 1 2 347.422 2.625 50 0 EFAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCC[C@H](C)C2)nc1 ZINC000011818986 471760396 /nfs/dbraw/zinc/76/03/96/471760396.db2.gz XWVANYLKAADVIS-HNNXBMFYSA-N 1 2 341.459 2.714 50 0 EFAALO CC[C@H](COC)NC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)on1 ZINC000012306673 471772347 /nfs/dbraw/zinc/77/23/47/471772347.db2.gz WKHNTNRKOMTEEJ-CYBMUJFWSA-N 1 2 342.399 2.536 50 0 EFAALO CN(c1[nH+]cccc1CNC(=O)C1CCOCC1)C1CCCCC1 ZINC000012587185 471783804 /nfs/dbraw/zinc/78/38/04/471783804.db2.gz LFCXYHZBFKEOEK-UHFFFAOYSA-N 1 2 331.460 2.893 50 0 EFAALO C[C@@H]1CN(c2nc3c(cnn3C)c(NC3CCCCC3)[nH+]2)C[C@H](C)O1 ZINC000013957018 471847055 /nfs/dbraw/zinc/84/70/55/471847055.db2.gz PMWADTFGLDUCML-BETUJISGSA-N 1 2 344.463 2.722 50 0 EFAALO O=C(Nc1ccc(F)cc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000016499663 471940169 /nfs/dbraw/zinc/94/01/69/471940169.db2.gz OKIRMCZAYRBZCZ-UHFFFAOYSA-N 1 2 332.354 2.710 50 0 EFAALO O=C(c1cccc(-n2cccc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638538 471945412 /nfs/dbraw/zinc/94/54/12/471945412.db2.gz TXNADXHNFOSFDO-UHFFFAOYSA-N 1 2 332.407 2.835 50 0 EFAALO Nc1nc(C[N@@H+]2CCc3ccccc3C2)nc(Nc2ccccc2)n1 ZINC000017251198 471958654 /nfs/dbraw/zinc/95/86/54/471958654.db2.gz GONUUGSZCSXHGE-UHFFFAOYSA-N 1 2 332.411 2.756 50 0 EFAALO Nc1nc(C[N@H+]2CCc3ccccc3C2)nc(Nc2ccccc2)n1 ZINC000017251198 471958659 /nfs/dbraw/zinc/95/86/59/471958659.db2.gz GONUUGSZCSXHGE-UHFFFAOYSA-N 1 2 332.411 2.756 50 0 EFAALO Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000018214135 471972566 /nfs/dbraw/zinc/97/25/66/471972566.db2.gz AWAZGQLHRWSXNN-UHFFFAOYSA-N 1 2 338.451 2.686 50 0 EFAALO COc1ccc(CSc2nc(N3CCOCC3)cc(C)[nH+]2)cc1 ZINC000019074857 471976651 /nfs/dbraw/zinc/97/66/51/471976651.db2.gz JGOCCUCVMLMEKE-UHFFFAOYSA-N 1 2 331.441 2.923 50 0 EFAALO CCC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)[nH+]2)CC1 ZINC000021793880 472004662 /nfs/dbraw/zinc/00/46/62/472004662.db2.gz MUUHHZAXCGXNRR-UHFFFAOYSA-N 1 2 339.443 2.896 50 0 EFAALO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038853802 472022553 /nfs/dbraw/zinc/02/25/53/472022553.db2.gz UEBFIWNWGOYWDR-UHFFFAOYSA-N 1 2 335.363 2.955 50 0 EFAALO CN(C)c1ccc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)cc1 ZINC000039389217 472023328 /nfs/dbraw/zinc/02/33/28/472023328.db2.gz DEHZXQFXRVUPIK-UHFFFAOYSA-N 1 2 342.472 2.905 50 0 EFAALO CC(C)c1ccc(NCc2ccc[nH+]c2N2CCC[C@@H](O)C2)nn1 ZINC000067433981 472033437 /nfs/dbraw/zinc/03/34/37/472033437.db2.gz BGBVXHFQIIPAPF-OAHLLOKOSA-N 1 2 327.432 2.568 50 0 EFAALO COc1cccc(CCNc2nc(NCCO)c3ccccc3[nH+]2)c1 ZINC000041150091 472048442 /nfs/dbraw/zinc/04/84/42/472048442.db2.gz YCJJFMANGMJWTL-UHFFFAOYSA-N 1 2 338.411 2.697 50 0 EFAALO O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000067613507 472060782 /nfs/dbraw/zinc/06/07/82/472060782.db2.gz PTAMRBDDGXMIBR-UHFFFAOYSA-N 1 2 349.390 2.850 50 0 EFAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2cc(-c3ccccc3)no2)no1 ZINC000054145948 472062250 /nfs/dbraw/zinc/06/22/50/472062250.db2.gz YJJZTCPVJIZVIU-UHFFFAOYSA-N 1 2 326.356 2.709 50 0 EFAALO Cc1cc(NC(=O)C[N@H+](C)Cc2cc(-c3ccccc3)no2)no1 ZINC000054145948 472062253 /nfs/dbraw/zinc/06/22/53/472062253.db2.gz YJJZTCPVJIZVIU-UHFFFAOYSA-N 1 2 326.356 2.709 50 0 EFAALO OCC1(O)CCN(c2cc[nH+]c3c2cccc3C(F)(F)F)CC1 ZINC000067641969 472063918 /nfs/dbraw/zinc/06/39/18/472063918.db2.gz DKMABBLXIVWWHS-UHFFFAOYSA-N 1 2 326.318 2.577 50 0 EFAALO CC(=O)N[C@@H]1CC[N@H+](Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1 ZINC000067675372 472069729 /nfs/dbraw/zinc/06/97/29/472069729.db2.gz JCUICXCZABZTID-OAHLLOKOSA-N 1 2 335.354 2.639 50 0 EFAALO CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1 ZINC000067675372 472069733 /nfs/dbraw/zinc/06/97/33/472069733.db2.gz JCUICXCZABZTID-OAHLLOKOSA-N 1 2 335.354 2.639 50 0 EFAALO CN(C)c1cc(NCc2cccnc2-n2cnc3ccccc32)[nH+]cn1 ZINC000067691032 472073012 /nfs/dbraw/zinc/07/30/12/472073012.db2.gz FPGYKJJBJMLOLR-UHFFFAOYSA-N 1 2 345.410 2.889 50 0 EFAALO CN(C)c1cc(NCc2cccnc2-n2cnc3ccccc32)nc[nH+]1 ZINC000067691032 472073018 /nfs/dbraw/zinc/07/30/18/472073018.db2.gz FPGYKJJBJMLOLR-UHFFFAOYSA-N 1 2 345.410 2.889 50 0 EFAALO CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000067692181 472073732 /nfs/dbraw/zinc/07/37/32/472073732.db2.gz YXQBUAQTRDBDJA-SFHVURJKSA-N 1 2 344.434 2.689 50 0 EFAALO O=C(C[C@H]1SC(=O)N(C[NH+]2CCCCC2)C1=O)Nc1ccccc1 ZINC000054360496 472080597 /nfs/dbraw/zinc/08/05/97/472080597.db2.gz SHYRSIYFQRVXHH-CQSZACIVSA-N 1 2 347.440 2.523 50 0 EFAALO Cc1[nH]c2ccc(CC(=O)N3Cc4cnc(CC(C)C)nc4C3)cc2[nH+]1 ZINC000067741452 472081803 /nfs/dbraw/zinc/08/18/03/472081803.db2.gz RFXZCUMDTUEYGG-UHFFFAOYSA-N 1 2 349.438 2.945 50 0 EFAALO Cc1[nH]c2cc(CC(=O)N3Cc4cnc(CC(C)C)nc4C3)ccc2[nH+]1 ZINC000067741452 472081809 /nfs/dbraw/zinc/08/18/09/472081809.db2.gz RFXZCUMDTUEYGG-UHFFFAOYSA-N 1 2 349.438 2.945 50 0 EFAALO C[C@@H](C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1)n1cc[nH+]c1 ZINC000067756725 472085053 /nfs/dbraw/zinc/08/50/53/472085053.db2.gz HMJOVSFKOHWXCG-LBPRGKRZSA-N 1 2 340.358 2.823 50 0 EFAALO CCNC(=O)C[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067758155 472085271 /nfs/dbraw/zinc/08/52/71/472085271.db2.gz CKDVYDUPXYJUID-UHFFFAOYSA-N 1 2 340.423 2.698 50 0 EFAALO CCNC(=O)C[N@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067758155 472085275 /nfs/dbraw/zinc/08/52/75/472085275.db2.gz CKDVYDUPXYJUID-UHFFFAOYSA-N 1 2 340.423 2.698 50 0 EFAALO Cc1nnc(NC(=O)c2cccc(C[N@H+](C)Cc3ccno3)c2)s1 ZINC000067773143 472087630 /nfs/dbraw/zinc/08/76/30/472087630.db2.gz BIAROSKDLUXAAL-UHFFFAOYSA-N 1 2 343.412 2.719 50 0 EFAALO Cc1nnc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccno3)c2)s1 ZINC000067773143 472087637 /nfs/dbraw/zinc/08/76/37/472087637.db2.gz BIAROSKDLUXAAL-UHFFFAOYSA-N 1 2 343.412 2.719 50 0 EFAALO CN(CCC(C)(C)O)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067784208 472089591 /nfs/dbraw/zinc/08/95/91/472089591.db2.gz USFWQRBKIXRWRB-UHFFFAOYSA-N 1 2 345.443 2.540 50 0 EFAALO CN(CCC(C)(C)O)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067784208 472089599 /nfs/dbraw/zinc/08/95/99/472089599.db2.gz USFWQRBKIXRWRB-UHFFFAOYSA-N 1 2 345.443 2.540 50 0 EFAALO CN(C(=O)CCC(=O)Nc1c[nH+]c2n1CCCC2)C1CCCCC1 ZINC000067789163 472089630 /nfs/dbraw/zinc/08/96/30/472089630.db2.gz WZVNYWGNBAMTQC-UHFFFAOYSA-N 1 2 332.448 2.729 50 0 EFAALO Cc1ccsc1-c1nc(C[N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)c(C)o1 ZINC000067879516 472103119 /nfs/dbraw/zinc/10/31/19/472103119.db2.gz VWUJFOAEGIQHCW-OLZOCXBDSA-N 1 2 331.441 2.873 50 0 EFAALO Cc1ccsc1-c1nc(C[N@@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)c(C)o1 ZINC000067879516 472103123 /nfs/dbraw/zinc/10/31/23/472103123.db2.gz VWUJFOAEGIQHCW-OLZOCXBDSA-N 1 2 331.441 2.873 50 0 EFAALO C[C@@H](NC(=O)C[N@@H+]1CCc2ccccc2C1)c1cn2ccsc2n1 ZINC000067884489 472104064 /nfs/dbraw/zinc/10/40/64/472104064.db2.gz ZYJKASCBDVONKT-CYBMUJFWSA-N 1 2 340.452 2.631 50 0 EFAALO C[C@@H](NC(=O)C[N@H+]1CCc2ccccc2C1)c1cn2ccsc2n1 ZINC000067884489 472104069 /nfs/dbraw/zinc/10/40/69/472104069.db2.gz ZYJKASCBDVONKT-CYBMUJFWSA-N 1 2 340.452 2.631 50 0 EFAALO OCC[N@@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067974563 472118591 /nfs/dbraw/zinc/11/85/91/472118591.db2.gz CMZCBRFTEDKQMD-UHFFFAOYSA-N 1 2 333.435 2.940 50 0 EFAALO OCC[N@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067974563 472118595 /nfs/dbraw/zinc/11/85/95/472118595.db2.gz CMZCBRFTEDKQMD-UHFFFAOYSA-N 1 2 333.435 2.940 50 0 EFAALO C[C@H]1CCCN(C(=O)CC[N@H+](C)Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000067975815 472119067 /nfs/dbraw/zinc/11/90/67/472119067.db2.gz OXNRRQRVDKVVLV-ZDUSSCGKSA-N 1 2 332.423 2.782 50 0 EFAALO C[C@H]1CCCN(C(=O)CC[N@@H+](C)Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000067975815 472119071 /nfs/dbraw/zinc/11/90/71/472119071.db2.gz OXNRRQRVDKVVLV-ZDUSSCGKSA-N 1 2 332.423 2.782 50 0 EFAALO COc1cc(C[NH2+]Cc2nc(C)cc(=O)[nH]2)ccc1OCC=C(C)C ZINC000055100137 472139740 /nfs/dbraw/zinc/13/97/40/472139740.db2.gz DIMQWKWUBNAHLP-UHFFFAOYSA-N 1 2 343.427 2.722 50 0 EFAALO Cc1ccc(C)c(O[C@H](C)C(=O)N(Cc2[nH+]ccn2C)C2CC2)c1 ZINC000055183412 472149666 /nfs/dbraw/zinc/14/96/66/472149666.db2.gz ZOPJFUIVGAJUHW-OAHLLOKOSA-N 1 2 327.428 2.995 50 0 EFAALO C[C@@H](CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2)[NH+]1CCOCC1 ZINC000055224555 472155774 /nfs/dbraw/zinc/15/57/74/472155774.db2.gz AEGXZBUKLLESLM-CCLIWJKGSA-N 1 2 334.504 2.772 50 0 EFAALO O=C(c1cc2ccccc2o1)N1CC[NH+](C[C@H](O)c2ccco2)CC1 ZINC000027215166 472167686 /nfs/dbraw/zinc/16/76/86/472167686.db2.gz BERHMZORYGFLPU-HNNXBMFYSA-N 1 2 340.379 2.517 50 0 EFAALO Cn1cc(Cl)c(CN(CCCn2cc[nH+]c2)Cc2cccnc2)n1 ZINC000055325630 472168452 /nfs/dbraw/zinc/16/84/52/472168452.db2.gz OLWGYWGKYWNKOE-UHFFFAOYSA-N 1 2 344.850 2.758 50 0 EFAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)C)cc2Br)C[NH2+]1 ZINC000042783089 472169588 /nfs/dbraw/zinc/16/95/88/472169588.db2.gz AVQLZZIFDADBAS-AAEUAGOBSA-N 1 2 342.233 2.855 50 0 EFAALO COCCn1cc[nH+]c1CN(Cc1ccsc1)C[C@H]1CCCO1 ZINC000055360951 472173432 /nfs/dbraw/zinc/17/34/32/472173432.db2.gz 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/nfs/dbraw/zinc/19/11/24/474191124.db2.gz CVIPZJQUNINXQG-NRFANRHFSA-N 1 2 349.434 2.989 50 0 EFAALO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000229219636 474251469 /nfs/dbraw/zinc/25/14/69/474251469.db2.gz SVPGPJOHIBFJTK-IAGOWNOFSA-N 1 2 329.444 2.646 50 0 EFAALO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000229219636 474251477 /nfs/dbraw/zinc/25/14/77/474251477.db2.gz SVPGPJOHIBFJTK-IAGOWNOFSA-N 1 2 329.444 2.646 50 0 EFAALO O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000240163545 474547728 /nfs/dbraw/zinc/54/77/28/474547728.db2.gz JBVGOUSEIDMZAJ-HNNXBMFYSA-N 1 2 346.862 2.959 50 0 EFAALO C[C@@H](C[N@H+](Cc1nccs1)Cc1ccccc1)N1CCOCC1 ZINC000240517191 474550577 /nfs/dbraw/zinc/55/05/77/474550577.db2.gz NWMIEZAOCCDYCG-INIZCTEOSA-N 1 2 331.485 2.866 50 0 EFAALO C[C@@H](C[N@@H+](Cc1nccs1)Cc1ccccc1)N1CCOCC1 ZINC000240517191 474550585 /nfs/dbraw/zinc/55/05/85/474550585.db2.gz NWMIEZAOCCDYCG-INIZCTEOSA-N 1 2 331.485 2.866 50 0 EFAALO C[C@@H](CN(Cc1nccs1)Cc1ccccc1)[NH+]1CCOCC1 ZINC000240517191 474550588 /nfs/dbraw/zinc/55/05/88/474550588.db2.gz NWMIEZAOCCDYCG-INIZCTEOSA-N 1 2 331.485 2.866 50 0 EFAALO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000244796063 474566708 /nfs/dbraw/zinc/56/67/08/474566708.db2.gz RSBBBHFQWKUFJW-HNNXBMFYSA-N 1 2 349.394 2.622 50 0 EFAALO O=C(c1ccccn1)[C@H]1CCC[N@@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000244796063 474566711 /nfs/dbraw/zinc/56/67/11/474566711.db2.gz RSBBBHFQWKUFJW-HNNXBMFYSA-N 1 2 349.394 2.622 50 0 EFAALO C[N@H+](CC(=O)NCc1cccs1)Cc1cc(-c2cccs2)n[nH]1 ZINC000252488525 474675486 /nfs/dbraw/zinc/67/54/86/474675486.db2.gz IUEVCSIUKXRALU-UHFFFAOYSA-N 1 2 346.481 2.948 50 0 EFAALO C[N@@H+](CC(=O)NCc1cccs1)Cc1cc(-c2cccs2)n[nH]1 ZINC000252488525 474675493 /nfs/dbraw/zinc/67/54/93/474675493.db2.gz IUEVCSIUKXRALU-UHFFFAOYSA-N 1 2 346.481 2.948 50 0 EFAALO COc1c[nH]c(C[N@H+](C)Cc2cnn(-c3cccc(C)c3)c2)cc1=O ZINC000252490748 474676823 /nfs/dbraw/zinc/67/68/23/474676823.db2.gz LACRARSGUSTWJZ-UHFFFAOYSA-N 1 2 338.411 2.922 50 0 EFAALO COc1c[nH]c(C[N@@H+](C)Cc2cnn(-c3cccc(C)c3)c2)cc1=O ZINC000252490748 474676827 /nfs/dbraw/zinc/67/68/27/474676827.db2.gz LACRARSGUSTWJZ-UHFFFAOYSA-N 1 2 338.411 2.922 50 0 EFAALO O=C([O-])COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000252510099 474687837 /nfs/dbraw/zinc/68/78/37/474687837.db2.gz ZBKGSCAUOPJTOE-GFCCVEGCSA-N 1 2 349.818 2.906 50 0 EFAALO O=C([O-])COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000252510099 474687844 /nfs/dbraw/zinc/68/78/44/474687844.db2.gz ZBKGSCAUOPJTOE-GFCCVEGCSA-N 1 2 349.818 2.906 50 0 EFAALO CC(C)n1ccc2c1cccc2OCC(=O)NCCc1c[nH+]c[nH]1 ZINC000253407363 474739818 /nfs/dbraw/zinc/73/98/18/474739818.db2.gz JUHICCUKEAKNRQ-UHFFFAOYSA-N 1 2 326.400 2.683 50 0 biogenic EFAALO CC(C)n1ccc2c1cccc2OCC(=O)NCCc1c[nH]c[nH+]1 ZINC000253407363 474739823 /nfs/dbraw/zinc/73/98/23/474739823.db2.gz JUHICCUKEAKNRQ-UHFFFAOYSA-N 1 2 326.400 2.683 50 0 biogenic EFAALO O=C(CSCc1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000253473111 474759110 /nfs/dbraw/zinc/75/91/10/474759110.db2.gz RKTAKHCKDWZAEV-KRWDZBQOSA-N 1 2 328.437 2.995 50 0 EFAALO C/C(=C\c1ccccc1)C(=O)N1CC[NH+](Cc2cnoc2C)CC1 ZINC000253474908 474761114 /nfs/dbraw/zinc/76/11/14/474761114.db2.gz LTMHXGSYPCKBRS-NTCAYCPXSA-N 1 2 325.412 2.731 50 0 EFAALO Cc1ccc(C[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)s1 ZINC000299755161 476152132 /nfs/dbraw/zinc/15/21/32/476152132.db2.gz AUKQHLYIBDGXFM-UHFFFAOYSA-N 1 2 340.456 2.671 50 0 EFAALO Cc1ccc(C[N@H+]2CCn3nc(CNc4ncccn4)cc3C2)s1 ZINC000299755161 476152138 /nfs/dbraw/zinc/15/21/38/476152138.db2.gz AUKQHLYIBDGXFM-UHFFFAOYSA-N 1 2 340.456 2.671 50 0 EFAALO CC(C)[C@H](NC(=O)C1([NH+]2CCOCC2)CCCCC1)c1cccnc1 ZINC000299773676 476152828 /nfs/dbraw/zinc/15/28/28/476152828.db2.gz FDQNHYJLASYUOT-SFHVURJKSA-N 1 2 345.487 2.930 50 0 EFAALO Cc1cc(C)n(CC2(CNc3cc([C@@H]4CCOC4)[nH+]c(C)n3)CC2)n1 ZINC000299774497 476154334 /nfs/dbraw/zinc/15/43/34/476154334.db2.gz JPUDXTOVWVLWNE-MRXNPFEDSA-N 1 2 341.459 2.995 50 0 EFAALO Cc1ccc2[nH]c(CNC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)nc2c1 ZINC000369886741 476574900 /nfs/dbraw/zinc/57/49/00/476574900.db2.gz GTIAMRSXNUHNJJ-OAHLLOKOSA-N 1 2 349.438 2.799 50 0 EFAALO Cc1ccc2nc(CNC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)[nH]c2c1 ZINC000369886741 476574908 /nfs/dbraw/zinc/57/49/08/476574908.db2.gz GTIAMRSXNUHNJJ-OAHLLOKOSA-N 1 2 349.438 2.799 50 0 EFAALO Cc1n[nH]c(C)c1CCN(C)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC000426434593 477709346 /nfs/dbraw/zinc/70/93/46/477709346.db2.gz XBFJRPQQMACXOB-UHFFFAOYSA-N 1 2 337.427 2.742 50 0 EFAALO Cn1cc(SCC(=O)NCCCc2[nH]cc[nH+]2)c2ccccc21 ZINC000426536498 477716972 /nfs/dbraw/zinc/71/69/72/477716972.db2.gz PJAJZJUXKXQQMV-UHFFFAOYSA-N 1 2 328.441 2.743 50 0 EFAALO CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3ccc(C)[nH+]c3C)cc2)C1 ZINC000426544539 477718778 /nfs/dbraw/zinc/71/87/78/477718778.db2.gz WSSFDSRAYRWBOO-SFHVURJKSA-N 1 2 337.423 2.716 50 0 EFAALO O=C(NCCn1ccc2ccccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000426582907 477722475 /nfs/dbraw/zinc/72/24/75/477722475.db2.gz VRNBHCSYTSDNDD-MRXNPFEDSA-N 1 2 337.427 2.954 50 0 EFAALO Cn1ccnc1-c1cccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000426613637 477726206 /nfs/dbraw/zinc/72/62/06/477726206.db2.gz NGUGGRXYTYIOJP-MRXNPFEDSA-N 1 2 349.438 2.836 50 0 EFAALO Cn1ccnc1-c1cccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)c1 ZINC000426613636 477726308 /nfs/dbraw/zinc/72/63/08/477726308.db2.gz NGUGGRXYTYIOJP-INIZCTEOSA-N 1 2 349.438 2.836 50 0 EFAALO CCCN(CCOC)C(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC000426628825 477729009 /nfs/dbraw/zinc/72/90/09/477729009.db2.gz UHFGOBSAWVHQOC-UHFFFAOYSA-N 1 2 327.428 3.138 50 0 EFAALO Cc1cnn(CCCNC(=O)c2cccc(-c3c[nH+]c(N)c(C)c3)c2)c1 ZINC000426669002 477736190 /nfs/dbraw/zinc/73/61/90/477736190.db2.gz KTOIMNAVGWRRNG-UHFFFAOYSA-N 1 2 349.438 2.964 50 0 EFAALO Cc1ccc2[nH]c(CCCNC(=O)c3cc4ncccn4n3)[nH+]c2c1C ZINC000534575257 478157420 /nfs/dbraw/zinc/15/74/20/478157420.db2.gz YEKBPKFSVXBXNY-UHFFFAOYSA-N 1 2 348.410 2.585 50 0 EFAALO Cc1c[nH]c([C@H](C)NC(=O)N2CCC(Cc3cccnc3)CC2)[nH+]1 ZINC000534581951 478159092 /nfs/dbraw/zinc/15/90/92/478159092.db2.gz BYPSIWDLYFQVIG-AWEZNQCLSA-N 1 2 327.432 2.838 50 0 EFAALO CC(C)SCCNC(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000534650491 478166244 /nfs/dbraw/zinc/16/62/44/478166244.db2.gz VZLPVGHSDIOJSO-UHFFFAOYSA-N 1 2 339.480 2.795 50 0 EFAALO Cc1nc([C@@H]2CCCN(c3cccc[nH+]3)C2)n(CC(F)(F)F)n1 ZINC000584888779 479272609 /nfs/dbraw/zinc/27/26/09/479272609.db2.gz IOUJWWXSMIUBTL-GFCCVEGCSA-N 1 2 325.338 2.928 50 0 EFAALO O=C(Cn1c2ccccc2[nH+]c1C1CC1)NCCc1nccs1 ZINC000584898144 479275698 /nfs/dbraw/zinc/27/56/98/479275698.db2.gz KNXMBVJQTYHWAD-UHFFFAOYSA-N 1 2 326.425 2.729 50 0 EFAALO CCn1c[nH+]cc1Cn1cnc2ccc(OC(F)(F)F)cc2c1=O ZINC000584899910 479275844 /nfs/dbraw/zinc/27/58/44/479275844.db2.gz JQPINQRRDBCDOT-UHFFFAOYSA-N 1 2 338.289 2.560 50 0 EFAALO Cc1ccnc(C[C@@H](C)N(C)C(=O)NCc2c[nH+]cn2C2CC2)c1 ZINC000584904089 479277775 /nfs/dbraw/zinc/27/77/75/479277775.db2.gz QVEJAPRDTNXBGG-CQSZACIVSA-N 1 2 327.432 2.694 50 0 EFAALO CC[C@H](CO)Nc1[nH+]cnc2c1c(Br)nn2C(C)(C)C ZINC000585135116 479295762 /nfs/dbraw/zinc/29/57/62/479295762.db2.gz YEZCXWXAEOXORC-MRVPVSSYSA-N 1 2 342.241 2.527 50 0 EFAALO COC(=O)c1sc2[nH]c(CCc3[nH+]cccc3C)nc(=O)c2c1C ZINC000585137264 479296314 /nfs/dbraw/zinc/29/63/14/479296314.db2.gz PJNQCIIJJWPKGC-UHFFFAOYSA-N 1 2 343.408 2.568 50 0 EFAALO C[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000091663146 524652653 /nfs/dbraw/zinc/65/26/53/524652653.db2.gz RVOGCCRGROTWSU-JTQLQIEISA-N 1 2 328.199 2.946 50 0 EFAALO CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC000426489742 535651120 /nfs/dbraw/zinc/65/11/20/535651120.db2.gz ZMHJVQMIWINPMX-CYBMUJFWSA-N 1 2 338.415 2.580 50 0 EFAALO COc1ccc2cc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[nH]c2c1 ZINC000206829019 545557114 /nfs/dbraw/zinc/55/71/14/545557114.db2.gz UBDTUYMNJRIYRO-AWEZNQCLSA-N 1 2 336.395 2.580 50 0 EFAALO CC[C@H](O)Cn1nc(C2(c3ccccc3)CC2)nc1C[NH+]1CCCC1 ZINC000670445328 547489942 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MAGAREMFMCLKSO-GOSISDBHSA-N 1 2 346.377 2.768 50 0 EFAALO O=C(NCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000036699893 213111637 /nfs/dbraw/zinc/11/16/37/213111637.db2.gz MAGAREMFMCLKSO-GOSISDBHSA-N 1 2 346.377 2.768 50 0 EFAALO C[NH+](C)Cc1nc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)cs1 ZINC000072122575 216015685 /nfs/dbraw/zinc/01/56/85/216015685.db2.gz GPEHAQBYPUKYRB-HNNXBMFYSA-N 1 2 344.484 2.921 50 0 EFAALO Fc1cccc(C[NH+]2CCN(Cc3ccc4nonc4c3)CC2)c1 ZINC000072137195 216025057 /nfs/dbraw/zinc/02/50/57/216025057.db2.gz PDUSOTBCJWDKME-UHFFFAOYSA-N 1 2 326.375 2.680 50 0 EFAALO O=S(=O)(N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000072152738 216041091 /nfs/dbraw/zinc/04/10/91/216041091.db2.gz CRPBWWCPFCBHDF-INIZCTEOSA-N 1 2 348.443 2.769 50 0 EFAALO O=S(=O)(N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000072152738 216041093 /nfs/dbraw/zinc/04/10/93/216041093.db2.gz CRPBWWCPFCBHDF-INIZCTEOSA-N 1 2 348.443 2.769 50 0 EFAALO Cc1cccnc1N1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000072152754 216041416 /nfs/dbraw/zinc/04/14/16/216041416.db2.gz FZBZERXWEDGFQP-UHFFFAOYSA-N 1 2 333.439 2.898 50 0 EFAALO COc1coc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)cc1=O ZINC000072173784 216063887 /nfs/dbraw/zinc/06/38/87/216063887.db2.gz CPAYXKBEHGHLGJ-UHFFFAOYSA-N 1 2 341.407 2.771 50 0 EFAALO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@H+](Cc1cc(C3CCCCC3)no1)C2 ZINC000072172705 216064113 /nfs/dbraw/zinc/06/41/13/216064113.db2.gz BQGZEKTUNDHIEK-MJGOQNOKSA-N 1 2 347.459 2.751 50 0 EFAALO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@@H+](Cc1cc(C3CCCCC3)no1)C2 ZINC000072172705 216064115 /nfs/dbraw/zinc/06/41/15/216064115.db2.gz BQGZEKTUNDHIEK-MJGOQNOKSA-N 1 2 347.459 2.751 50 0 EFAALO COCCn1c[nH+]cc1CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072172813 216064229 /nfs/dbraw/zinc/06/42/29/216064229.db2.gz JZEYTFLWPYZBNO-KRWDZBQOSA-N 1 2 343.406 2.882 50 0 EFAALO CCc1nc2c(cnn2C)c(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC000072173807 216064237 /nfs/dbraw/zinc/06/42/37/216064237.db2.gz AANKJGJIMCETJU-INIZCTEOSA-N 1 2 347.426 2.976 50 0 EFAALO Cc1cccnc1C[NH+]1CCN(Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072168496 216059382 /nfs/dbraw/zinc/05/93/82/216059382.db2.gz OSUDKBSILNHGMY-UHFFFAOYSA-N 1 2 349.438 2.758 50 0 EFAALO Cc1cccnc1CN1CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072168496 216059386 /nfs/dbraw/zinc/05/93/86/216059386.db2.gz OSUDKBSILNHGMY-UHFFFAOYSA-N 1 2 349.438 2.758 50 0 EFAALO COc1ccccc1C(C)(C)C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000072279053 216106017 /nfs/dbraw/zinc/10/60/17/216106017.db2.gz YBFOOVLJOYFMDE-AWEZNQCLSA-N 1 2 327.428 2.609 50 0 EFAALO Cc1ncc(Cl)c(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000072421371 216209992 /nfs/dbraw/zinc/20/99/92/216209992.db2.gz RAGYPFPSIMVBAZ-UHFFFAOYSA-N 1 2 348.809 2.536 50 0 EFAALO O=C1CC[C@@]2(CCCN(c3cccc[nH+]3)C2)CN1Cc1ccccn1 ZINC000072422583 216212180 /nfs/dbraw/zinc/21/21/80/216212180.db2.gz WNTYFBFHQHKGOZ-HXUWFJFHSA-N 1 2 336.439 2.886 50 0 EFAALO Cc1cc(N(C)Cc2[nH+]ccn2Cc2ccccc2)n2nccc2n1 ZINC000072426744 216217024 /nfs/dbraw/zinc/21/70/24/216217024.db2.gz VVYYXXGNWDSSHT-UHFFFAOYSA-N 1 2 332.411 2.919 50 0 EFAALO CC(=O)C1(c2ccccc2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000072428998 216221262 /nfs/dbraw/zinc/22/12/62/216221262.db2.gz HQDVRZRUXILMAD-UHFFFAOYSA-N 1 2 339.439 2.813 50 0 EFAALO CC(C)n1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cn1 ZINC000072430932 216223252 /nfs/dbraw/zinc/22/32/52/216223252.db2.gz VMMGPXOVGWBIKH-RMKNXTFCSA-N 1 2 338.455 2.935 50 0 EFAALO O=C1CC[C@]2(CCCN(c3cccc[nH+]3)C2)CN1Cc1ccncc1 ZINC000072430918 216224024 /nfs/dbraw/zinc/22/40/24/216224024.db2.gz WUNWYLUKBTZWAX-FQEVSTJZSA-N 1 2 336.439 2.886 50 0 EFAALO Cc1cccc2nc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c(F)n21 ZINC000072431713 216225934 /nfs/dbraw/zinc/22/59/34/216225934.db2.gz WJLCDRZZAUHLML-UHFFFAOYSA-N 1 2 327.363 2.525 50 0 EFAALO CCc1nc(N)sc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000072458964 216244127 /nfs/dbraw/zinc/24/41/27/216244127.db2.gz ZAMKZOGRFSPFBM-UHFFFAOYSA-N 1 2 344.484 2.554 50 0 EFAALO Cc1ccc(CN(C)C(=O)C[C@@H]2COCC[N@@H+]2Cc2ccoc2)s1 ZINC000072479716 216258784 /nfs/dbraw/zinc/25/87/84/216258784.db2.gz HUOUIHBTEWNOEL-MRXNPFEDSA-N 1 2 348.468 2.899 50 0 EFAALO Cc1ccc(CN(C)C(=O)C[C@@H]2COCC[N@H+]2Cc2ccoc2)s1 ZINC000072479716 216258788 /nfs/dbraw/zinc/25/87/88/216258788.db2.gz HUOUIHBTEWNOEL-MRXNPFEDSA-N 1 2 348.468 2.899 50 0 EFAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000023816954 212396455 /nfs/dbraw/zinc/39/64/55/212396455.db2.gz WEXCABGQCZPIOR-UHFFFAOYSA-N 1 2 348.443 2.641 50 0 EFAALO Cc1ncc(C[N@@H+]2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)s1 ZINC000022932941 212335936 /nfs/dbraw/zinc/33/59/36/212335936.db2.gz SWDGKINHJJAOSU-SFHVURJKSA-N 1 2 345.512 2.829 50 0 EFAALO Cc1ncc(C[N@H+]2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)s1 ZINC000022932941 212335939 /nfs/dbraw/zinc/33/59/39/212335939.db2.gz SWDGKINHJJAOSU-SFHVURJKSA-N 1 2 345.512 2.829 50 0 EFAALO CC[C@@H](NC(=O)CCC(=O)c1ccc(OC)cc1)c1[nH]cc(C)[nH+]1 ZINC000214960423 241099925 /nfs/dbraw/zinc/09/99/25/241099925.db2.gz JHDSIMPZPSAEMY-OAHLLOKOSA-N 1 2 329.400 2.957 50 0 EFAALO CSCCN1CC[NH+](Cc2cc(C)ccc2-n2cccn2)CC1 ZINC000215223330 241113452 /nfs/dbraw/zinc/11/34/52/241113452.db2.gz QGAZAYXXHQRTPE-UHFFFAOYSA-N 1 2 330.501 2.661 50 0 EFAALO CNc1nc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC000215779280 241145774 /nfs/dbraw/zinc/14/57/74/241145774.db2.gz OOVXQXNIKAQBNL-ZDUSSCGKSA-N 1 2 327.413 2.553 50 0 EFAALO COCc1cc(CN2CC[NH+](Cc3cccnc3)CC2)ccc1OC ZINC000215897624 241154202 /nfs/dbraw/zinc/15/42/02/241154202.db2.gz YBZAITGTWPRQEG-UHFFFAOYSA-N 1 2 341.455 2.554 50 0 EFAALO CS(=O)(=O)c1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)cc1 ZINC000216265763 241178608 /nfs/dbraw/zinc/17/86/08/241178608.db2.gz RJPUUHCTBWVSMU-UHFFFAOYSA-N 1 2 346.452 2.529 50 0 EFAALO Cn1ccnc1CN1CC[NH+](Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000216299817 241181379 /nfs/dbraw/zinc/18/13/79/241181379.db2.gz MDPDDBHXFQJXSH-MRXNPFEDSA-N 1 2 346.500 2.651 50 0 EFAALO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000216323266 241182774 /nfs/dbraw/zinc/18/27/74/241182774.db2.gz NCWMYPYQDDOFNX-INIZCTEOSA-N 1 2 333.413 2.786 50 0 EFAALO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000216323266 241182779 /nfs/dbraw/zinc/18/27/79/241182779.db2.gz NCWMYPYQDDOFNX-INIZCTEOSA-N 1 2 333.413 2.786 50 0 EFAALO O=C(CCNC(=O)c1cccc(-c2[nH]cc[nH+]2)c1)NC1CCCCC1 ZINC000216405527 241189763 /nfs/dbraw/zinc/18/97/63/241189763.db2.gz SGVGXPBEGXVHOA-UHFFFAOYSA-N 1 2 340.427 2.646 50 0 EFAALO CN1CC[NH+](Cc2ccc(C(=O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000022027957 212271393 /nfs/dbraw/zinc/27/13/93/212271393.db2.gz VXKALBDSXCHRGY-UHFFFAOYSA-N 1 2 330.378 2.943 50 0 EFAALO CCOCCOc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533721 216633248 /nfs/dbraw/zinc/63/32/48/216633248.db2.gz JNRCJLIIQSDFRO-HNNXBMFYSA-N 1 2 343.427 2.845 50 0 EFAALO COc1cccc(C[C@H]2C[N@H+](Cc3cnc(N(C)C)s3)CCO2)c1 ZINC000020905975 212186998 /nfs/dbraw/zinc/18/69/98/212186998.db2.gz WPNOKVDPDLOFJO-INIZCTEOSA-N 1 2 347.484 2.661 50 0 EFAALO COc1cccc(C[C@H]2C[N@@H+](Cc3cnc(N(C)C)s3)CCO2)c1 ZINC000020905975 212187004 /nfs/dbraw/zinc/18/70/04/212187004.db2.gz WPNOKVDPDLOFJO-INIZCTEOSA-N 1 2 347.484 2.661 50 0 EFAALO COc1cccc(C[C@@H]2C[N@H+](Cc3cnc(N(C)C)s3)CCO2)c1 ZINC000020905973 212185741 /nfs/dbraw/zinc/18/57/41/212185741.db2.gz WPNOKVDPDLOFJO-MRXNPFEDSA-N 1 2 347.484 2.661 50 0 EFAALO COc1cccc(C[C@@H]2C[N@@H+](Cc3cnc(N(C)C)s3)CCO2)c1 ZINC000020905973 212185743 /nfs/dbraw/zinc/18/57/43/212185743.db2.gz WPNOKVDPDLOFJO-MRXNPFEDSA-N 1 2 347.484 2.661 50 0 EFAALO Cc1cccn2c(CC(=O)N[C@H](c3ccccc3)[C@H]3C[C@@H](O)C3)c[nH+]c12 ZINC000244715882 243064105 /nfs/dbraw/zinc/06/41/05/243064105.db2.gz LDXSRMLCOWMDDH-IMFGXOCKSA-N 1 2 349.434 2.814 50 0 EFAALO Cc1cc(NC(=O)C[N@H+](C)CCN2CCCCC2=O)ccc1Cl ZINC000244719062 243065533 /nfs/dbraw/zinc/06/55/33/243065533.db2.gz LWHUTPMWIHMMLK-UHFFFAOYSA-N 1 2 337.851 2.531 50 0 EFAALO Cc1cc(NC(=O)C[N@@H+](C)CCN2CCCCC2=O)ccc1Cl ZINC000244719062 243065537 /nfs/dbraw/zinc/06/55/37/243065537.db2.gz LWHUTPMWIHMMLK-UHFFFAOYSA-N 1 2 337.851 2.531 50 0 EFAALO CNc1nc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cs1 ZINC000243956978 243034916 /nfs/dbraw/zinc/03/49/16/243034916.db2.gz CFDRREGXMLATMX-UHFFFAOYSA-N 1 2 340.456 2.502 50 0 EFAALO CNc1nc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)cs1 ZINC000243956978 243034920 /nfs/dbraw/zinc/03/49/20/243034920.db2.gz CFDRREGXMLATMX-UHFFFAOYSA-N 1 2 340.456 2.502 50 0 EFAALO CCSc1nnc(NC(=O)C[N@H+](C)[C@H](C)c2ccco2)s1 ZINC000244633393 243048549 /nfs/dbraw/zinc/04/85/49/243048549.db2.gz GCEMTPRXFWTSAJ-SECBINFHSA-N 1 2 326.447 2.875 50 0 EFAALO CCSc1nnc(NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)s1 ZINC000244633393 243048551 /nfs/dbraw/zinc/04/85/51/243048551.db2.gz GCEMTPRXFWTSAJ-SECBINFHSA-N 1 2 326.447 2.875 50 0 EFAALO CSCc1noc(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)n1 ZINC000244647086 243049119 /nfs/dbraw/zinc/04/91/19/243049119.db2.gz GUVQHRGNTHRDHQ-MRXNPFEDSA-N 1 2 347.484 2.748 50 0 EFAALO O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000244647124 243051747 /nfs/dbraw/zinc/05/17/47/243051747.db2.gz 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ZINC000020745128 212167942 /nfs/dbraw/zinc/16/79/42/212167942.db2.gz CWKXCTVRHPNFEM-AWEZNQCLSA-N 1 2 340.379 2.657 50 0 EFAALO Cc1c[nH]c(C[N@H+]2CCc3sc(C(=O)N(C)C)cc3C2)c(C)c1=O ZINC000253536784 244015244 /nfs/dbraw/zinc/01/52/44/244015244.db2.gz OONNMIXENXLZHM-UHFFFAOYSA-N 1 2 345.468 2.726 50 0 EFAALO Cc1c[nH]c(C[N@@H+]2CCc3sc(C(=O)N(C)C)cc3C2)c(C)c1=O ZINC000253536784 244015247 /nfs/dbraw/zinc/01/52/47/244015247.db2.gz OONNMIXENXLZHM-UHFFFAOYSA-N 1 2 345.468 2.726 50 0 EFAALO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)Nc1ccc(F)cc1 ZINC000020437848 212129404 /nfs/dbraw/zinc/12/94/04/212129404.db2.gz IFVBGOQDYCCZTM-UHFFFAOYSA-N 1 2 345.393 2.721 50 0 EFAALO Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000020395640 212124120 /nfs/dbraw/zinc/12/41/20/212124120.db2.gz HQJSSHUWXPMLFV-UHFFFAOYSA-N 1 2 347.846 2.998 50 0 EFAALO CCCCn1c(=O)c([C@H]2[NH2+]CCc3ccccc32)c(O)[nH]c1=S ZINC000020229579 212113544 /nfs/dbraw/zinc/11/35/44/212113544.db2.gz OOQDQDHHGOJLLL-AWEZNQCLSA-N 1 2 331.441 2.647 50 0 EFAALO CCCCn1c(O)c([C@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=S ZINC000020229579 212113549 /nfs/dbraw/zinc/11/35/49/212113549.db2.gz OOQDQDHHGOJLLL-AWEZNQCLSA-N 1 2 331.441 2.647 50 0 EFAALO COc1cccc(OC)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020058098 212099067 /nfs/dbraw/zinc/09/90/67/212099067.db2.gz OSFKRWJGIAZBKL-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 EFAALO C[C@@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000019877216 212078977 /nfs/dbraw/zinc/07/89/77/212078977.db2.gz VEPNFBINVFZKOL-HNNXBMFYSA-N 1 2 335.444 2.627 50 0 EFAALO COc1ccc(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000019799261 212070158 /nfs/dbraw/zinc/07/01/58/212070158.db2.gz FJKUBIJIDQXHJQ-LJQANCHMSA-N 1 2 335.407 2.992 50 0 EFAALO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+]1CCOCC1 ZINC000019793631 212068577 /nfs/dbraw/zinc/06/85/77/212068577.db2.gz FSEYSDZKAOXRDJ-UHFFFAOYSA-N 1 2 330.428 2.704 50 0 EFAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000019757663 212062456 /nfs/dbraw/zinc/06/24/56/212062456.db2.gz XFPZWXWMJXSYKR-UHFFFAOYSA-N 1 2 344.480 2.810 50 0 EFAALO COC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=[NH2+] ZINC000019757723 212062305 /nfs/dbraw/zinc/06/23/05/212062305.db2.gz FNFJUNODWVNTBN-UHFFFAOYSA-N 1 2 329.787 2.797 50 0 EFAALO Fc1ccc2nc([C@H]3CCCC[N@@H+]3CCCn3cncn3)[nH]c2c1 ZINC000019730658 212058683 /nfs/dbraw/zinc/05/86/83/212058683.db2.gz FFBSSJOWURDTIE-MRXNPFEDSA-N 1 2 328.395 2.911 50 0 EFAALO Fc1ccc2nc([C@H]3CCCC[N@H+]3CCCn3cncn3)[nH]c2c1 ZINC000019730658 212058685 /nfs/dbraw/zinc/05/86/85/212058685.db2.gz FFBSSJOWURDTIE-MRXNPFEDSA-N 1 2 328.395 2.911 50 0 EFAALO COc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000019570451 212043760 /nfs/dbraw/zinc/04/37/60/212043760.db2.gz JJQWAAKNBPWGQH-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO COc1ccccc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019537460 212040995 /nfs/dbraw/zinc/04/09/95/212040995.db2.gz GBNXHPZUMNRZAC-UHFFFAOYSA-N 1 2 340.423 2.742 50 0 EFAALO O=C(Nc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019372985 212024646 /nfs/dbraw/zinc/02/46/46/212024646.db2.gz MFGAZEXFQHHYLA-UHFFFAOYSA-N 1 2 339.395 2.765 50 0 aggregator EFAALO CCC12CN3CC(CC)(C[NH+](C1)C3c1cn(C)c3ccccc13)C2O ZINC000019320211 212014862 /nfs/dbraw/zinc/01/48/62/212014862.db2.gz BEGCARBIILJPAR-UHFFFAOYSA-N 1 2 339.483 2.975 50 0 biogenic EFAALO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000019235040 212007181 /nfs/dbraw/zinc/00/71/81/212007181.db2.gz WCICBGOQIKCHCW-UHFFFAOYSA-N 1 2 330.453 2.502 50 0 EFAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019211558 212004488 /nfs/dbraw/zinc/00/44/88/212004488.db2.gz AVLMRGRKHPZMGH-UHFFFAOYSA-N 1 2 330.453 2.502 50 0 EFAALO Cc1nc(N(C)Cc2[nH]nc3c2CCCCC3)cc([C@@H]2CCOC2)[nH+]1 ZINC000426383837 247272509 /nfs/dbraw/zinc/27/25/09/247272509.db2.gz LRIQNLSGYBMKJZ-CQSZACIVSA-N 1 2 341.459 2.917 50 0 EFAALO CCc1[nH+]c2ccccc2n1CCC(=O)NCc1cnn2ccccc12 ZINC000426382643 247272654 /nfs/dbraw/zinc/27/26/54/247272654.db2.gz JBRDALDOGRYVHJ-UHFFFAOYSA-N 1 2 347.422 2.953 50 0 EFAALO CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCCc1cc[nH]n1 ZINC000426387851 247272998 /nfs/dbraw/zinc/27/29/98/247272998.db2.gz UVIRXTNRRPRDSC-ZDUSSCGKSA-N 1 2 325.416 2.632 50 0 EFAALO Cc1cc(C)n(CCCN(C)c2cc([C@H]3CCOC3)[nH+]c(C)n2)n1 ZINC000426487403 247287621 /nfs/dbraw/zinc/28/76/21/247287621.db2.gz OBMBRCOJCOELKX-INIZCTEOSA-N 1 2 329.448 2.629 50 0 EFAALO O=C(NCc1c[nH+]cn1C1CC1)c1cnc(-c2cccs2)nc1 ZINC000426503650 247288216 /nfs/dbraw/zinc/28/82/16/247288216.db2.gz ZWHYTGSSJBBUOM-UHFFFAOYSA-N 1 2 325.397 2.667 50 0 EFAALO CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CC[NH+](C)CC1 ZINC000013331683 211548571 /nfs/dbraw/zinc/54/85/71/211548571.db2.gz LOLHELKIDNJWSN-CYBMUJFWSA-N 1 2 331.243 2.925 50 0 EFAALO CCn1ccnc1C[NH2+][C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000012446151 211385443 /nfs/dbraw/zinc/38/54/43/211385443.db2.gz NTGFTMPBQPYXGU-INIZCTEOSA-N 1 2 334.427 2.922 50 0 EFAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000012433455 211379834 /nfs/dbraw/zinc/37/98/34/211379834.db2.gz XXHSBTVEKQWRCL-UHFFFAOYSA-N 1 2 341.459 2.858 50 0 EFAALO CCN(CC)c1[nH+]cccc1CNC(=O)c1coc2c1C(=O)CCC2 ZINC000012089855 211289993 /nfs/dbraw/zinc/28/99/93/211289993.db2.gz UYTFMUBPRHQURQ-UHFFFAOYSA-N 1 2 341.411 2.970 50 0 EFAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(C)n[nH]3)C2)cc1F ZINC000011935265 211272674 /nfs/dbraw/zinc/27/26/74/211272674.db2.gz YOZIVAKQQRRXKZ-AWEZNQCLSA-N 1 2 331.391 2.961 50 0 EFAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(C)n[nH]3)C2)cc1F ZINC000011935265 211272680 /nfs/dbraw/zinc/27/26/80/211272680.db2.gz YOZIVAKQQRRXKZ-AWEZNQCLSA-N 1 2 331.391 2.961 50 0 EFAALO O=C(c1ccc[nH]1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091526700 218018126 /nfs/dbraw/zinc/01/81/26/218018126.db2.gz VPCWXOGTWIOYNX-UHFFFAOYSA-N 1 2 341.440 2.736 50 0 EFAALO Cc1[nH+]c2ccccn2c1CN(C)C(=O)c1cn2ccsc2n1 ZINC000091550548 218020019 /nfs/dbraw/zinc/02/00/19/218020019.db2.gz ZVXXOBHATQTNGZ-UHFFFAOYSA-N 1 2 325.397 2.624 50 0 EFAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NC[C@H]1COc2ccccc2O1 ZINC000091645253 218039280 /nfs/dbraw/zinc/03/92/80/218039280.db2.gz LTYIYAIHDXRXFJ-INIZCTEOSA-N 1 2 349.390 2.506 50 0 EFAALO CCn1cc[nH+]c1C1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC000091651293 218040882 /nfs/dbraw/zinc/04/08/82/218040882.db2.gz OTHGQMBZUWTYLS-UHFFFAOYSA-N 1 2 333.457 2.780 50 0 EFAALO Nc1ccsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000091656282 218041088 /nfs/dbraw/zinc/04/10/88/218041088.db2.gz SQBPLZFFRKQSSQ-WCQYABFASA-N 1 2 348.497 2.523 50 0 EFAALO Nc1ccsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000091656282 218041090 /nfs/dbraw/zinc/04/10/90/218041090.db2.gz SQBPLZFFRKQSSQ-WCQYABFASA-N 1 2 348.497 2.523 50 0 EFAALO CSCCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091664301 218043170 /nfs/dbraw/zinc/04/31/70/218043170.db2.gz NFEYQRWQFFJHRG-OAHLLOKOSA-N 1 2 344.484 2.786 50 0 EFAALO CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c(C)n1 ZINC000091665652 218044159 /nfs/dbraw/zinc/04/41/59/218044159.db2.gz ZSEMOSZZWSJPSX-AZUAARDMSA-N 1 2 339.487 2.703 50 0 EFAALO CCn1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c(C)n1 ZINC000091665652 218044160 /nfs/dbraw/zinc/04/41/60/218044160.db2.gz ZSEMOSZZWSJPSX-AZUAARDMSA-N 1 2 339.487 2.703 50 0 EFAALO CN(C)c1ccc(CCNC(=O)[C@H](c2ccccc2F)[NH+](C)C)cc1 ZINC000091746193 218057883 /nfs/dbraw/zinc/05/78/83/218057883.db2.gz FSZJNLWZUYYKNU-IBGZPJMESA-N 1 2 343.446 2.853 50 0 EFAALO CCn1nc(C(C)C)cc1C(=O)NCCSCc1[nH]c[nH+]c1C ZINC000091779128 218064240 /nfs/dbraw/zinc/06/42/40/218064240.db2.gz CJZWGMSRZXFRPY-UHFFFAOYSA-N 1 2 335.477 2.721 50 0 EFAALO COc1nc2c(cc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)CCC2 ZINC000091858521 218078180 /nfs/dbraw/zinc/07/81/80/218078180.db2.gz LYOHQTHRBTXMTL-INIZCTEOSA-N 1 2 342.443 2.620 50 0 EFAALO C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000091895009 218086106 /nfs/dbraw/zinc/08/61/06/218086106.db2.gz XPGQDFSDJWRSEO-CYBMUJFWSA-N 1 2 337.379 2.939 50 0 EFAALO Cc1cnn([C@@H](C)C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000092002609 218101904 /nfs/dbraw/zinc/10/19/04/218101904.db2.gz XYCSDEVHKIFOHF-HNNXBMFYSA-N 1 2 346.862 2.750 50 0 EFAALO Cc1[nH]c2ccc(CC(=O)NC[C@H]3COc4ccccc4C3)cc2[nH+]1 ZINC000091974245 218096664 /nfs/dbraw/zinc/09/66/64/218096664.db2.gz JIFKDEUMWIRFFV-HNNXBMFYSA-N 1 2 335.407 2.781 50 0 EFAALO Cc1[nH]c2cc(CC(=O)NC[C@H]3COc4ccccc4C3)ccc2[nH+]1 ZINC000091974245 218096668 /nfs/dbraw/zinc/09/66/68/218096668.db2.gz JIFKDEUMWIRFFV-HNNXBMFYSA-N 1 2 335.407 2.781 50 0 EFAALO Cn1cc[nH+]c1C1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000092098853 218119286 /nfs/dbraw/zinc/11/92/86/218119286.db2.gz BIROLUFNTKWLSJ-OAHLLOKOSA-N 1 2 333.819 2.513 50 0 EFAALO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1O ZINC000092149153 218123697 /nfs/dbraw/zinc/12/36/97/218123697.db2.gz YACNYXGESAHZGA-UHFFFAOYSA-N 1 2 346.452 2.810 50 0 EFAALO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1O ZINC000092149153 218123698 /nfs/dbraw/zinc/12/36/98/218123698.db2.gz YACNYXGESAHZGA-UHFFFAOYSA-N 1 2 346.452 2.810 50 0 EFAALO CCn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000092064733 218113054 /nfs/dbraw/zinc/11/30/54/218113054.db2.gz KBEHIRFAQBZZEV-CYBMUJFWSA-N 1 2 337.420 2.610 50 0 EFAALO OCCCNc1[nH+]cnc2c1cnn2-c1ccc(Cl)c(Cl)c1 ZINC000010386394 211170431 /nfs/dbraw/zinc/17/04/31/211170431.db2.gz WOUFJXFKLCTLHT-UHFFFAOYSA-N 1 2 338.198 2.917 50 0 EFAALO Cc1cc(N2CCC3(CC2)OCCC[C@H]3O)nc(-c2ccccc2)[nH+]1 ZINC000095357720 218292169 /nfs/dbraw/zinc/29/21/69/218292169.db2.gz PBXDFMAGGDCQMM-QGZVFWFLSA-N 1 2 339.439 2.962 50 0 EFAALO Cc1ocnc1C(=O)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095367191 218299204 /nfs/dbraw/zinc/29/92/04/218299204.db2.gz GFNTWGPAEIMZAC-HNNXBMFYSA-N 1 2 328.416 2.999 50 0 EFAALO CCc1ncc(C(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)cn1 ZINC000095367939 218300288 /nfs/dbraw/zinc/30/02/88/218300288.db2.gz KJZRQRBBLGAPBC-AWEZNQCLSA-N 1 2 327.432 2.836 50 0 EFAALO CCc1ncc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)cn1 ZINC000095367940 218300300 /nfs/dbraw/zinc/30/03/00/218300300.db2.gz KJZRQRBBLGAPBC-CQSZACIVSA-N 1 2 327.432 2.836 50 0 EFAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2nccc2C)C1 ZINC000095367411 218300712 /nfs/dbraw/zinc/30/07/12/218300712.db2.gz XVKKEBVKNCPYNQ-MRXNPFEDSA-N 1 2 329.448 2.594 50 0 EFAALO CCOc1ncccc1CNC(=O)[C@@H](c1ccccc1F)[NH+](C)C ZINC000095363605 218296951 /nfs/dbraw/zinc/29/69/51/218296951.db2.gz HTALAJWFSMPYOH-MRXNPFEDSA-N 1 2 331.391 2.539 50 0 EFAALO c1cn(CC2CCC2)c([C@@H]2CCCN(c3ncnc4[nH]cnc43)C2)[nH+]1 ZINC000095371510 218303998 /nfs/dbraw/zinc/30/39/98/218303998.db2.gz KEQQVJJDYLNTFR-CQSZACIVSA-N 1 2 337.431 2.734 50 0 EFAALO CN(Cc1cc(C2CC2)n[nH]1)C(=O)[C@H](c1ccccc1F)[NH+](C)C ZINC000095379375 218312117 /nfs/dbraw/zinc/31/21/17/218312117.db2.gz ZABZTBIGZCFUQR-KRWDZBQOSA-N 1 2 330.407 2.688 50 0 EFAALO Cc1nnsc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095389285 218321024 /nfs/dbraw/zinc/32/10/24/218321024.db2.gz QLTQJPGWUBUREB-CQSZACIVSA-N 1 2 345.472 2.863 50 0 EFAALO COc1ccc2nc(CNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)[nH]c2c1 ZINC000095391223 218322775 /nfs/dbraw/zinc/32/27/75/218322775.db2.gz NPXSAQHVTJLJRB-LBPRGKRZSA-N 1 2 341.415 2.769 50 0 EFAALO Cn1c(CNC(=O)[C@H](c2ccccc2F)[NH+](C)C)nc2ccccc21 ZINC000095391176 218322893 /nfs/dbraw/zinc/32/28/93/218322893.db2.gz BFMFUFBTDJVUEN-SFHVURJKSA-N 1 2 340.402 2.632 50 0 EFAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000004983887 210349944 /nfs/dbraw/zinc/34/99/44/210349944.db2.gz NLSGKSVGSQANDG-LBPRGKRZSA-N 1 2 347.440 2.510 50 0 EFAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000004983887 210349948 /nfs/dbraw/zinc/34/99/48/210349948.db2.gz NLSGKSVGSQANDG-LBPRGKRZSA-N 1 2 347.440 2.510 50 0 EFAALO O=C(NCCCc1ccccc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000153490681 224112439 /nfs/dbraw/zinc/11/24/39/224112439.db2.gz MINPOWQJTXOIIE-SFHVURJKSA-N 1 2 325.412 2.877 50 0 EFAALO Cc1[nH]nc(CCC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)c1C ZINC000097347375 219014031 /nfs/dbraw/zinc/01/40/31/219014031.db2.gz YHAJIRNIOMKMIG-HNNXBMFYSA-N 1 2 346.500 2.801 50 0 EFAALO Cc1[nH]nc(CCC(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C ZINC000097347375 219014032 /nfs/dbraw/zinc/01/40/32/219014032.db2.gz YHAJIRNIOMKMIG-HNNXBMFYSA-N 1 2 346.500 2.801 50 0 EFAALO Cc1cc(I)ccc1OCCn1cc[nH+]c1 ZINC000004842447 210296256 /nfs/dbraw/zinc/29/62/56/210296256.db2.gz UCVBYEVDCMJZTM-UHFFFAOYSA-N 1 2 328.153 2.875 50 0 EFAALO C[NH+]1CCN(C(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)CC1 ZINC000004832100 210291237 /nfs/dbraw/zinc/29/12/37/210291237.db2.gz PGXCKCJGYHJOEB-UHFFFAOYSA-N 1 2 348.406 2.791 50 0 EFAALO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000097514316 219031225 /nfs/dbraw/zinc/03/12/25/219031225.db2.gz AMXVWDUEIZOMFG-CYBMUJFWSA-N 1 2 338.448 2.872 50 0 EFAALO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000097514316 219031227 /nfs/dbraw/zinc/03/12/27/219031227.db2.gz AMXVWDUEIZOMFG-CYBMUJFWSA-N 1 2 338.448 2.872 50 0 EFAALO C[C@@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000004757935 210272666 /nfs/dbraw/zinc/27/26/66/210272666.db2.gz MJTQAIYOGJBJJG-KDOFPFPSSA-N 1 2 343.471 2.950 50 0 EFAALO C[C@@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000004757935 210272670 /nfs/dbraw/zinc/27/26/70/210272670.db2.gz MJTQAIYOGJBJJG-KDOFPFPSSA-N 1 2 343.471 2.950 50 0 EFAALO C[C@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000004757938 210271673 /nfs/dbraw/zinc/27/16/73/210271673.db2.gz MJTQAIYOGJBJJG-KBXCAEBGSA-N 1 2 343.471 2.950 50 0 EFAALO C[C@H]1CCCCN1C(=O)c1cc(N)cc(C(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000004757938 210271674 /nfs/dbraw/zinc/27/16/74/210271674.db2.gz MJTQAIYOGJBJJG-KBXCAEBGSA-N 1 2 343.471 2.950 50 0 EFAALO Cc1n[nH]c(C)c1CCCN(C)c1cc([C@H]2CCOC2)[nH+]c(C)n1 ZINC000299781297 258089983 /nfs/dbraw/zinc/08/99/83/258089983.db2.gz UUVGKPNGTWWVGB-HNNXBMFYSA-N 1 2 329.448 2.698 50 0 EFAALO COc1ccc2c(c1)[C@@H](C)N(C(=O)CC1=CSC3=[NH+]CCN13)CC2 ZINC000299801947 258104998 /nfs/dbraw/zinc/10/49/98/258104998.db2.gz ZFTICRCHMZCJGJ-GFCCVEGCSA-N 1 2 343.452 2.791 50 0 EFAALO CC(C)Cc1nc(C[NH+]2CCC3(CC2)c2ccccc2C[C@H]3O)no1 ZINC000072161338 258064440 /nfs/dbraw/zinc/06/44/40/258064440.db2.gz XJVWQEAMURDJPV-QGZVFWFLSA-N 1 2 341.455 2.719 50 0 EFAALO C[C@@H](CC(=O)NC1CCN(c2ccccc2F)CC1)n1cc[nH+]c1 ZINC000299765244 258080317 /nfs/dbraw/zinc/08/03/17/258080317.db2.gz DGBHKENLCSKYQZ-AWEZNQCLSA-N 1 2 330.407 2.759 50 0 EFAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000052537743 132184396 /nfs/dbraw/zinc/18/43/96/132184396.db2.gz ADGGKNPWQWJMJZ-UHFFFAOYSA-N 1 2 331.366 2.726 50 0 EFAALO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000054172794 132190182 /nfs/dbraw/zinc/19/01/82/132190182.db2.gz OVRLELBESOHJQP-QGZVFWFLSA-N 1 2 335.451 2.786 50 0 EFAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1N=CC[C@H]1c1ccccc1 ZINC000035840508 132391373 /nfs/dbraw/zinc/39/13/73/132391373.db2.gz VHEIMYWBEICIIK-FQEVSTJZSA-N 1 2 348.450 2.768 50 0 EFAALO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3nccs3)C[C@@H]2C)cc1 ZINC000013737077 292134776 /nfs/dbraw/zinc/13/47/76/292134776.db2.gz ZZLYBTCECQRMRP-AWEZNQCLSA-N 1 2 330.457 2.601 50 0 EFAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3nccs3)C[C@@H]2C)cc1 ZINC000013737077 292134777 /nfs/dbraw/zinc/13/47/77/292134777.db2.gz ZZLYBTCECQRMRP-AWEZNQCLSA-N 1 2 330.457 2.601 50 0 EFAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccncc1)[N@H+](C)CC3)OCO2 ZINC000020111691 286188611 /nfs/dbraw/zinc/18/86/11/286188611.db2.gz WKOBQLSFTVJAPF-AWEZNQCLSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccncc1)[N@@H+](C)CC3)OCO2 ZINC000020111691 286188612 /nfs/dbraw/zinc/18/86/12/286188612.db2.gz WKOBQLSFTVJAPF-AWEZNQCLSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO Cc1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCOCC2)cc1 ZINC000023973506 292254782 /nfs/dbraw/zinc/25/47/82/292254782.db2.gz HOWAGXDRBDUMFW-IBGZPJMESA-N 1 2 342.414 2.937 50 0 EFAALO Cc1[nH+]c2cc(CNS(=O)(=O)c3cccc(C)c3)ccc2n1C ZINC000074999034 544471316 /nfs/dbraw/zinc/47/13/16/544471316.db2.gz YXGQWGREQWMMBK-UHFFFAOYSA-N 1 2 329.425 2.669 50 0 EFAALO CC1(C)Cc2c(sc3ncn4nc(C[NH+]5CCCC5)nc4c23)CO1 ZINC000002325669 275871334 /nfs/dbraw/zinc/87/13/34/275871334.db2.gz PINLYWKKAAVCIH-UHFFFAOYSA-N 1 2 343.456 2.786 50 0 EFAALO CC(=O)N1N=C2[C@H]([C@@H]1c1ccc(Br)cc1)[NH+]1CCC2CC1 ZINC000020058923 277021218 /nfs/dbraw/zinc/02/12/18/277021218.db2.gz YHNOBRWBDPYSQK-JKSUJKDBSA-N 1 2 348.244 2.803 50 0 EFAALO CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3c1ccc(O)cc1)C2=O ZINC000019320093 278706526 /nfs/dbraw/zinc/70/65/26/278706526.db2.gz LKQCGDLDRHSPAX-UHFFFAOYSA-N 1 2 328.456 2.890 50 0 biogenic EFAALO Cn1ncc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2cccc(O)c2)c1C1CC1 ZINC000067758425 279403937 /nfs/dbraw/zinc/40/39/37/279403937.db2.gz OPQINKHQZSNVPD-FQEVSTJZSA-N 1 2 349.438 2.874 50 0 EFAALO O=C([C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)N1CCc2nc[nH]c2C1 ZINC000096132483 280074974 /nfs/dbraw/zinc/07/49/74/280074974.db2.gz CCMVAFRWQJKCRS-GOSISDBHSA-N 1 2 342.418 2.661 50 0 EFAALO C[NH+](C)[C@H]1CS(=O)(=O)[C@@]12CC1c3ccccc3C2c2ccccc21 ZINC000031716338 289395445 /nfs/dbraw/zinc/39/54/45/289395445.db2.gz DHIQQBILTIUGMZ-PCODVIEZSA-N 1 2 339.460 2.765 50 0 EFAALO Cc1ccn2cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)nc2c1 ZINC000097679838 302262835 /nfs/dbraw/zinc/26/28/35/302262835.db2.gz QCSRHPZLFZYHOP-OAHLLOKOSA-N 1 2 325.416 2.684 50 0 EFAALO CCOc1ccc2cc(S(=O)(=O)N3CC[NH+](CC)CC3)ccc2c1 ZINC000041092014 472044439 /nfs/dbraw/zinc/04/44/39/472044439.db2.gz BLKHAONATPLVRH-UHFFFAOYSA-N 1 2 348.468 2.565 50 0 EFAALO CC(C)Cc1nnc2sc(CCc3cn4ccccc4[nH+]3)nn12 ZINC000071388788 472548542 /nfs/dbraw/zinc/54/85/42/472548542.db2.gz VXDZBSAYIFQZGW-UHFFFAOYSA-N 1 2 326.429 2.817 50 0 EFAALO Cn1ccc2c1cccc2C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095477691 473212336 /nfs/dbraw/zinc/21/23/36/473212336.db2.gz GWKQVDLETKJJFQ-UHFFFAOYSA-N 1 2 348.450 2.574 50 0 EFAALO Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc[nH+]c1N1CCCCC1)CC(=O)O2 ZINC000095479411 473212367 /nfs/dbraw/zinc/21/23/67/473212367.db2.gz MDAFANUNNNXIHS-CQSZACIVSA-N 1 2 339.395 2.510 50 0 EFAALO Cc1nc(C(=O)NCCc2c[nH+]c[nH]2)c(Cc2ccccc2)s1 ZINC000095479597 473212814 /nfs/dbraw/zinc/21/28/14/473212814.db2.gz QQCCRIXRCRWNCQ-UHFFFAOYSA-N 1 2 326.425 2.738 50 0 EFAALO Cc1nc(C(=O)NCCc2c[nH]c[nH+]2)c(Cc2ccccc2)s1 ZINC000095479597 473212819 /nfs/dbraw/zinc/21/28/19/473212819.db2.gz QQCCRIXRCRWNCQ-UHFFFAOYSA-N 1 2 326.425 2.738 50 0 EFAALO O=C(c1ccc[nH]1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095500340 473214699 /nfs/dbraw/zinc/21/46/99/473214699.db2.gz XGXKNRBPUZYKHS-UHFFFAOYSA-N 1 2 335.411 2.674 50 0 EFAALO OC1CCN(c2cc[nH+]c(C[C@H]3CCOc4ccccc4C3)n2)CC1 ZINC000095507317 473215393 /nfs/dbraw/zinc/21/53/93/473215393.db2.gz KSMJCUJANLDPSA-HNNXBMFYSA-N 1 2 339.439 2.622 50 0 EFAALO O=C([C@H]1CCCO1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095505789 473216193 /nfs/dbraw/zinc/21/61/93/473216193.db2.gz LKEAECSOOVNQGF-GOSISDBHSA-N 1 2 339.439 2.816 50 0 EFAALO O=C(c1ccoc1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095513243 473217962 /nfs/dbraw/zinc/21/79/62/473217962.db2.gz TVCFEEYEUMVCLC-UHFFFAOYSA-N 1 2 336.395 2.939 50 0 EFAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCn2nccc2C)C1 ZINC000095516848 473218145 /nfs/dbraw/zinc/21/81/45/473218145.db2.gz QOLOAMVZCJWHBA-QGZVFWFLSA-N 1 2 343.475 2.984 50 0 EFAALO COc1nccnc1N1CCC(c2[nH]c3ccc(F)cc3[nH+]2)CC1 ZINC000095521374 473218579 /nfs/dbraw/zinc/21/85/79/473218579.db2.gz ADUXNWBGVNOACW-UHFFFAOYSA-N 1 2 327.363 2.885 50 0 EFAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC000095522398 473219091 /nfs/dbraw/zinc/21/90/91/473219091.db2.gz LCLDKLVPHUZHQS-CQSZACIVSA-N 1 2 328.416 2.804 50 0 EFAALO CC(C)Cn1c[nH+]cc1CNC(=O)[C@@H]1CCOc2ccccc2C1 ZINC000095522727 473219612 /nfs/dbraw/zinc/21/96/12/473219612.db2.gz OKCVHHXGIVZFJZ-MRXNPFEDSA-N 1 2 327.428 2.797 50 0 EFAALO C[N@H+](Cc1nc2ccc(F)cc2[nH]1)C1CCN(c2ncccn2)CC1 ZINC000095524976 473220338 /nfs/dbraw/zinc/22/03/38/473220338.db2.gz PFHRUYRAMOLWLR-UHFFFAOYSA-N 1 2 340.406 2.593 50 0 EFAALO C[N@@H+](Cc1nc2ccc(F)cc2[nH]1)C1CCN(c2ncccn2)CC1 ZINC000095524976 473220341 /nfs/dbraw/zinc/22/03/41/473220341.db2.gz PFHRUYRAMOLWLR-UHFFFAOYSA-N 1 2 340.406 2.593 50 0 EFAALO O=C(CCC(F)(F)F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000082106878 473288605 /nfs/dbraw/zinc/28/86/05/473288605.db2.gz VIHRROOCXVZBDT-UHFFFAOYSA-N 1 2 330.350 2.552 50 0 EFAALO O=C(c1cnccn1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082106708 473289254 /nfs/dbraw/zinc/28/92/54/473289254.db2.gz UKCKFVJYVVLQBK-KRWDZBQOSA-N 1 2 347.422 2.741 50 0 EFAALO Cn1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000082120948 473292222 /nfs/dbraw/zinc/29/22/22/473292222.db2.gz LNZGTLBTMHCVLL-QGZVFWFLSA-N 1 2 349.438 2.685 50 0 EFAALO Nc1ccsc1C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000082121297 473292793 /nfs/dbraw/zinc/29/27/93/473292793.db2.gz ZAAWZFSJWFWJSN-UHFFFAOYSA-N 1 2 333.432 2.818 50 0 EFAALO Nc1ccsc1C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000082121297 473292803 /nfs/dbraw/zinc/29/28/03/473292803.db2.gz ZAAWZFSJWFWJSN-UHFFFAOYSA-N 1 2 333.432 2.818 50 0 EFAALO CN(C)c1nc(N(C)C)c(NC(=O)Nc2ccccc2Cl)c[nH+]1 ZINC000096098774 473294667 /nfs/dbraw/zinc/29/46/67/473294667.db2.gz LHTMSZJYURXHOK-UHFFFAOYSA-N 1 2 334.811 2.906 50 0 EFAALO O=S(=O)(Cc1ccccc1)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096097140 473294812 /nfs/dbraw/zinc/29/48/12/473294812.db2.gz WINIXAMECIOPGN-UHFFFAOYSA-N 1 2 341.436 2.829 50 0 EFAALO O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000096138749 473310755 /nfs/dbraw/zinc/31/07/55/473310755.db2.gz ZVZOVTZTBIIWCZ-HNNXBMFYSA-N 1 2 349.438 2.533 50 0 EFAALO CC(C)CC(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000096141265 473312289 /nfs/dbraw/zinc/31/22/89/473312289.db2.gz UJXPYWRPFKUEIA-UHFFFAOYSA-N 1 2 347.507 2.553 50 0 EFAALO CC(C)(C)Nc1nc(N2CCOCC2)nc(NC2CCCCC2)[nH+]1 ZINC000000208091 471335455 /nfs/dbraw/zinc/33/54/55/471335455.db2.gz LEFZPEBZXQSSAK-UHFFFAOYSA-N 1 2 334.468 2.663 50 0 EFAALO CC(C)(C)Nc1nc(NC2CCCCC2)[nH+]c(N2CCOCC2)n1 ZINC000000208091 471335463 /nfs/dbraw/zinc/33/54/63/471335463.db2.gz LEFZPEBZXQSSAK-UHFFFAOYSA-N 1 2 334.468 2.663 50 0 EFAALO CC(C)(C)Nc1nc(NC2CCCCC2)nc(N2CCOCC2)[nH+]1 ZINC000000208091 471335469 /nfs/dbraw/zinc/33/54/69/471335469.db2.gz LEFZPEBZXQSSAK-UHFFFAOYSA-N 1 2 334.468 2.663 50 0 EFAALO CCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)[nH+]1 ZINC000000272214 471342710 /nfs/dbraw/zinc/34/27/10/471342710.db2.gz GRTKSZPQUKBXCM-UHFFFAOYSA-N 1 2 334.811 2.537 50 0 EFAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CCCC1 ZINC000000418962 471356992 /nfs/dbraw/zinc/35/69/92/471356992.db2.gz NNZPHJDIWUCOFY-UHFFFAOYSA-N 1 2 339.424 2.530 50 0 EFAALO COC(=O)c1cc2c([nH+]c(N)nc2N(C)Cc2ccccc2)s1 ZINC000001387162 471388336 /nfs/dbraw/zinc/38/83/36/471388336.db2.gz MXGVRTYKKADKCT-UHFFFAOYSA-N 1 2 328.397 2.697 50 0 EFAALO O=C(Cn1c2ccccc2[nH+]c1NCCCO)c1ccc(F)cc1 ZINC000001775642 471397463 /nfs/dbraw/zinc/39/74/63/471397463.db2.gz DWWDGCCLXKOFGY-UHFFFAOYSA-N 1 2 327.359 2.853 50 0 EFAALO CCc1ccc(S(=O)(=O)NCCc2cn3ccc(C)cc3[nH+]2)s1 ZINC000002961138 471428786 /nfs/dbraw/zinc/42/87/86/471428786.db2.gz KLIDFZMTNSKVGG-UHFFFAOYSA-N 1 2 349.481 2.788 50 0 EFAALO COc1ccc(Cl)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004454637 471465310 /nfs/dbraw/zinc/46/53/10/471465310.db2.gz QABSANMQMALING-UHFFFAOYSA-N 1 2 331.803 2.706 50 0 EFAALO Cc1cccc(-c2noc(C[NH+]3CCN(c4ccccn4)CC3)n2)c1 ZINC000004487190 471467152 /nfs/dbraw/zinc/46/71/52/471467152.db2.gz NESBNTXEOAJXGD-UHFFFAOYSA-N 1 2 335.411 2.762 50 0 EFAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)Nc1cccc2ccccc21 ZINC000006725782 471563441 /nfs/dbraw/zinc/56/34/41/471563441.db2.gz LDFZYYOGPVPNMQ-UHFFFAOYSA-N 1 2 346.434 2.996 50 0 EFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(Cl)s1 ZINC000012439883 471776457 /nfs/dbraw/zinc/77/64/57/471776457.db2.gz MZCWXCRJIANHME-UHFFFAOYSA-N 1 2 337.832 2.563 50 0 EFAALO O=C(COc1ccccc1Cl)NCc1cccnc1-n1cc[nH+]c1 ZINC000012447024 471776585 /nfs/dbraw/zinc/77/65/85/471776585.db2.gz CQUUTUCKKREMBZ-UHFFFAOYSA-N 1 2 342.786 2.616 50 0 EFAALO O=C(CC1=CCCCC1)NCc1ccc[nH+]c1N1CCC[C@H](O)C1 ZINC000012579070 471784269 /nfs/dbraw/zinc/78/42/69/471784269.db2.gz 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471843033 /nfs/dbraw/zinc/84/30/33/471843033.db2.gz VUWYQQDTODIEKC-INIZCTEOSA-N 1 2 339.439 2.760 50 0 EFAALO Cc1ccc(N2CC[N@@H+](CN3C(=O)c4ccccc4C3=O)C[C@H]2C)cc1 ZINC000013960181 471846349 /nfs/dbraw/zinc/84/63/49/471846349.db2.gz BIAFXOGIHOSRTD-MRXNPFEDSA-N 1 2 349.434 2.759 50 0 EFAALO Cc1ccc(N2CC[N@H+](CN3C(=O)c4ccccc4C3=O)C[C@H]2C)cc1 ZINC000013960181 471846352 /nfs/dbraw/zinc/84/63/52/471846352.db2.gz BIAFXOGIHOSRTD-MRXNPFEDSA-N 1 2 349.434 2.759 50 0 EFAALO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1ccc(Cl)cc1Cl ZINC000014193216 471860057 /nfs/dbraw/zinc/86/00/57/471860057.db2.gz VKLCWJCOCSIADG-UHFFFAOYSA-N 1 2 345.226 2.771 50 0 EFAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(OCc3ccccc3)cc2)C[NH2+]1 ZINC000014632563 471876627 /nfs/dbraw/zinc/87/66/27/471876627.db2.gz RZVGUEIWAOZIDM-ROUUACIJSA-N 1 2 327.380 2.548 50 0 EFAALO O=C(c1cccnc1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000014955970 471882558 /nfs/dbraw/zinc/88/25/58/471882558.db2.gz OVHGQQUMGHUGQW-OAHLLOKOSA-N 1 2 349.394 2.622 50 0 EFAALO O=C(c1cccnc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000014955970 471882562 /nfs/dbraw/zinc/88/25/62/471882562.db2.gz OVHGQQUMGHUGQW-OAHLLOKOSA-N 1 2 349.394 2.622 50 0 EFAALO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C(N)=O)c(C)o2)c(C)c1C ZINC000015075308 471888898 /nfs/dbraw/zinc/88/88/98/471888898.db2.gz MMGROMJSUURADL-INIZCTEOSA-N 1 2 343.427 2.725 50 0 EFAALO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3C(N)=O)c(C)o2)c(C)c1C ZINC000015075308 471888903 /nfs/dbraw/zinc/88/89/03/471888903.db2.gz MMGROMJSUURADL-INIZCTEOSA-N 1 2 343.427 2.725 50 0 EFAALO Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccco3)CC2)c1C ZINC000016580326 471941267 /nfs/dbraw/zinc/94/12/67/471941267.db2.gz XMZMCGPGYOXHOM-UHFFFAOYSA-N 1 2 328.412 2.620 50 0 EFAALO CCSc1nc2sc3c(c2c2n[nH]c(=S)n21)CC[N@@H+](C)C3 ZINC000016676228 471947758 /nfs/dbraw/zinc/94/77/58/471947758.db2.gz SXJAQXOLSKEZHI-UHFFFAOYSA-N 1 2 337.499 2.728 50 0 EFAALO CCSc1nc2sc3c(c2c2n[nH]c(=S)n21)CC[N@H+](C)C3 ZINC000016676228 471947763 /nfs/dbraw/zinc/94/77/63/471947763.db2.gz 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ZINC000067842001 472096833 /nfs/dbraw/zinc/09/68/33/472096833.db2.gz LIGURHXRJREEAT-UHFFFAOYSA-N 1 2 329.310 2.555 50 0 EFAALO O=C(CN1CC[NH+](Cc2cccc(Cl)c2)CC1)NC1CCCC1 ZINC000084367727 472171451 /nfs/dbraw/zinc/17/14/51/472171451.db2.gz UHRHQRLXIFAOBT-UHFFFAOYSA-N 1 2 335.879 2.516 50 0 EFAALO O=C(C[NH+]1CCN(Cc2cccc(Cl)c2)CC1)NC1CCCC1 ZINC000084367727 472171457 /nfs/dbraw/zinc/17/14/57/472171457.db2.gz UHRHQRLXIFAOBT-UHFFFAOYSA-N 1 2 335.879 2.516 50 0 EFAALO Cc1ccc(O)c(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000068706590 472230768 /nfs/dbraw/zinc/23/07/68/472230768.db2.gz XMNLJXJEUUFDIF-UHFFFAOYSA-N 1 2 343.402 2.600 50 0 EFAALO O=C(NCCn1cc[nH+]c1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000043947635 472274636 /nfs/dbraw/zinc/27/46/36/472274636.db2.gz XVKBDTCZPHGKFD-UHFFFAOYSA-N 1 2 343.390 2.923 50 0 EFAALO COc1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030852975 472350791 /nfs/dbraw/zinc/35/07/91/472350791.db2.gz DKNQKWLNXMAKLQ-UHFFFAOYSA-N 1 2 326.396 2.780 50 0 EFAALO COCC(=O)Nc1c[nH+]c(C)n1-c1nc(-c2ccccc2)cs1 ZINC000032642143 472450267 /nfs/dbraw/zinc/45/02/67/472450267.db2.gz FDVRGJOUWITSKG-UHFFFAOYSA-N 1 2 328.397 2.889 50 0 EFAALO O=C(Nc1nc2c(s1)COCC2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000077155542 472460345 /nfs/dbraw/zinc/46/03/45/472460345.db2.gz LADDSZZILONTBL-UHFFFAOYSA-N 1 2 340.408 2.713 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1(c3ccc(F)cc3)CCC1)C2 ZINC000097199234 472474563 /nfs/dbraw/zinc/47/45/63/472474563.db2.gz KSPYZYMUPDTHKK-MRXNPFEDSA-N 1 2 327.403 2.884 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(Cl)c(Cl)n1C)C2 ZINC000097198465 472475255 /nfs/dbraw/zinc/47/52/55/472475255.db2.gz ZATSRYRLSCHDOA-VIFPVBQESA-N 1 2 327.215 2.582 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(-c3ccc(C)cc3)no1)C2 ZINC000097198617 472475428 /nfs/dbraw/zinc/47/54/28/472475428.db2.gz VRQANWNMLUEHAW-OAHLLOKOSA-N 1 2 336.395 2.900 50 0 EFAALO CC(C)c1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)n2ncnc2n1 ZINC000097200918 472476942 /nfs/dbraw/zinc/47/69/42/472476942.db2.gz PBLLGAKHABFKGZ-AWEZNQCLSA-N 1 2 337.431 2.581 50 0 EFAALO CCCCc1nc(Cl)c(C[N@H+]2C[C@@H](C(C)C)[C@H](NC(C)=O)C2)[nH]1 ZINC000077322090 472504299 /nfs/dbraw/zinc/50/42/99/472504299.db2.gz HGQCQJHZXSOOAT-UONOGXRCSA-N 1 2 340.899 2.998 50 0 EFAALO CCCCc1nc(Cl)c(C[N@@H+]2C[C@@H](C(C)C)[C@H](NC(C)=O)C2)[nH]1 ZINC000077322090 472504307 /nfs/dbraw/zinc/50/43/07/472504307.db2.gz HGQCQJHZXSOOAT-UONOGXRCSA-N 1 2 340.899 2.998 50 0 EFAALO Cc1cn(CCn2cc[nH+]c2-c2cc3c(cc2Cl)OCO3)nn1 ZINC000077337708 472506613 /nfs/dbraw/zinc/50/66/13/472506613.db2.gz AXDSOFQRIQFRSP-UHFFFAOYSA-N 1 2 331.763 2.532 50 0 EFAALO O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000077342603 472507077 /nfs/dbraw/zinc/50/70/77/472507077.db2.gz FNHCCZZQHNDRPJ-CYBMUJFWSA-N 1 2 341.440 2.887 50 0 EFAALO COc1ccccc1CCC(=O)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000077420338 472525258 /nfs/dbraw/zinc/52/52/58/472525258.db2.gz XUFYHXIAKPTFAD-MRXNPFEDSA-N 1 2 327.428 2.763 50 0 EFAALO CCCOC(=O)N1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077459160 472531559 /nfs/dbraw/zinc/53/15/59/472531559.db2.gz BEZNDAVEUKSUPD-UHFFFAOYSA-N 1 2 349.479 2.527 50 0 EFAALO Cn1cc[nH+]c1CC[C@@H]1CCCCN1C(=O)c1cn2ccsc2n1 ZINC000077489273 472536991 /nfs/dbraw/zinc/53/69/91/472536991.db2.gz ONEVOFFEXLQYIH-ZDUSSCGKSA-N 1 2 343.456 2.757 50 0 EFAALO Cc1cc(=O)c(O)c(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)o1 ZINC000071279402 472545901 /nfs/dbraw/zinc/54/59/01/472545901.db2.gz IKLIHWHTEPZGBV-UHFFFAOYSA-N 1 2 348.830 2.625 50 0 EFAALO O=C(c1cnc(C[NH+]2CCCC2)s1)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000071404068 472550445 /nfs/dbraw/zinc/55/04/45/472550445.db2.gz SKOICCIYUAARCB-NMWPEEMBSA-N 1 2 331.485 2.857 50 0 EFAALO Cc1ncsc1CCn1cc[nH+]c1-c1cnc(N2CCCC2)nc1 ZINC000071404205 472550949 /nfs/dbraw/zinc/55/09/49/472550949.db2.gz MYCOBRBPBCHIRC-UHFFFAOYSA-N 1 2 340.456 2.948 50 0 EFAALO C[C@@H](c1[nH+]ccn1-c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000071614486 472554297 /nfs/dbraw/zinc/55/42/97/472554297.db2.gz SHXLPUKZFIHOHC-CYBMUJFWSA-N 1 2 327.409 2.672 50 0 EFAALO CC[C@H](C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)[NH+]1CCOCC1 ZINC000071730466 472556356 /nfs/dbraw/zinc/55/63/56/472556356.db2.gz FJOGHDNQVTYAPC-GOSISDBHSA-N 1 2 329.444 2.512 50 0 EFAALO CC[C@H]1C[N@H+](Cc2coc(C)n2)CCC(=O)N1Cc1ccccc1 ZINC000071755380 472559677 /nfs/dbraw/zinc/55/96/77/472559677.db2.gz ZBNYMTRTLURLTR-SFHVURJKSA-N 1 2 327.428 2.996 50 0 EFAALO CC[C@H]1C[N@@H+](Cc2coc(C)n2)CCC(=O)N1Cc1ccccc1 ZINC000071755380 472559684 /nfs/dbraw/zinc/55/96/84/472559684.db2.gz ZBNYMTRTLURLTR-SFHVURJKSA-N 1 2 327.428 2.996 50 0 EFAALO Fc1cccc([C@H]2CN(Cc3c[nH]cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1F ZINC000071755424 472559801 /nfs/dbraw/zinc/55/98/01/472559801.db2.gz DYVKAAHNBLSFCC-ATZDWAIDSA-N 1 2 344.409 2.750 50 0 EFAALO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](NC(C)=O)C3)c(C)o2)c(F)c1 ZINC000071754111 472559828 /nfs/dbraw/zinc/55/98/28/472559828.db2.gz SFBONQKYXNQXBE-CYBMUJFWSA-N 1 2 347.390 2.508 50 0 EFAALO COc1ccc(-c2nc(C[N@H+]3CC[C@@H](NC(C)=O)C3)c(C)o2)c(F)c1 ZINC000071754111 472559834 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COc1ccc(F)c(F)c1CN1CC[NH+](Cc2ncccc2C)CC1 ZINC000072153615 216042732 /nfs/dbraw/zinc/04/27/32/216042732.db2.gz VBSANJBJJGNZCG-UHFFFAOYSA-N 1 2 347.409 2.995 50 0 EFAALO CSc1ncc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)cn1 ZINC000072159184 216049212 /nfs/dbraw/zinc/04/92/12/216049212.db2.gz KSQDCQJUBMUHEA-MRXNPFEDSA-N 1 2 330.457 2.775 50 0 EFAALO CSc1ncc(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)cn1 ZINC000072159184 216049215 /nfs/dbraw/zinc/04/92/15/216049215.db2.gz KSQDCQJUBMUHEA-MRXNPFEDSA-N 1 2 330.457 2.775 50 0 EFAALO Cc1nnnn1CCC[N@@H+]1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072163535 216052193 /nfs/dbraw/zinc/05/21/93/216052193.db2.gz ZGSSWHZJJPDESB-INIZCTEOSA-N 1 2 343.410 2.614 50 0 EFAALO Cc1nnnn1CCC[N@H+]1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072163535 216052195 /nfs/dbraw/zinc/05/21/95/216052195.db2.gz ZGSSWHZJJPDESB-INIZCTEOSA-N 1 2 343.410 2.614 50 0 EFAALO COc1cccc(OCC[N@H+](C)Cc2cn(-c3ccccc3)nn2)c1 ZINC000072165031 216054818 /nfs/dbraw/zinc/05/48/18/216054818.db2.gz MZCGJLKNAHEHIF-UHFFFAOYSA-N 1 2 338.411 2.787 50 0 EFAALO COc1cccc(OCC[N@@H+](C)Cc2cn(-c3ccccc3)nn2)c1 ZINC000072165031 216054819 /nfs/dbraw/zinc/05/48/19/216054819.db2.gz MZCGJLKNAHEHIF-UHFFFAOYSA-N 1 2 338.411 2.787 50 0 EFAALO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1noc(-c2ccc(C)cc2)n1 ZINC000072165976 216055122 /nfs/dbraw/zinc/05/51/22/216055122.db2.gz DDHPQWWNNWEONO-KRWDZBQOSA-N 1 2 342.443 2.926 50 0 EFAALO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1noc(-c2ccc(C)cc2)n1 ZINC000072165976 216055124 /nfs/dbraw/zinc/05/51/24/216055124.db2.gz DDHPQWWNNWEONO-KRWDZBQOSA-N 1 2 342.443 2.926 50 0 EFAALO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000072270585 216093872 /nfs/dbraw/zinc/09/38/72/216093872.db2.gz RVHOPFXMQIKDGG-IRXDYDNUSA-N 1 2 329.444 2.646 50 0 EFAALO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000072270585 216093877 /nfs/dbraw/zinc/09/38/77/216093877.db2.gz RVHOPFXMQIKDGG-IRXDYDNUSA-N 1 2 329.444 2.646 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc3c1O[C@@H](C)[C@@H]3C)C2 ZINC000072278957 216105797 /nfs/dbraw/zinc/10/57/97/216105797.db2.gz FZCPIXAVVAZKQX-IHRRRGAJSA-N 1 2 325.412 2.821 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000072278960 216106225 /nfs/dbraw/zinc/10/62/25/216106225.db2.gz SITREQUGYZEFRW-CQSZACIVSA-N 1 2 337.345 2.884 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1cccc(OC(C)C)c1)C2 ZINC000072279046 216106773 /nfs/dbraw/zinc/10/67/73/216106773.db2.gz CKFOKPZIPDDTIK-MRXNPFEDSA-N 1 2 327.428 2.652 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cccc3c1O[C@H](C)[C@@H]3C)C2 ZINC000072278955 216106996 /nfs/dbraw/zinc/10/69/96/216106996.db2.gz FZCPIXAVVAZKQX-MJBXVCDLSA-N 1 2 325.412 2.821 50 0 EFAALO COc1ccc(-c2ccc(=O)n(C[NH+]3CCCCCC3)n2)c(F)c1 ZINC000072404948 216195677 /nfs/dbraw/zinc/19/56/77/216195677.db2.gz VQWDPFMGRBTUPF-UHFFFAOYSA-N 1 2 331.391 2.892 50 0 EFAALO Cn1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc2cc(F)ccc21 ZINC000072400956 216193966 /nfs/dbraw/zinc/19/39/66/216193966.db2.gz YOJHJUGWYFDJAB-UHFFFAOYSA-N 1 2 338.386 2.675 50 0 EFAALO O=C([O-])C1(n2cc[nH+]c2)CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000072420393 216208767 /nfs/dbraw/zinc/20/87/67/216208767.db2.gz PTOQCQOTEQBPAF-UHFFFAOYSA-N 1 2 337.782 2.752 50 0 EFAALO O=C([O-])C1(n2cc[nH+]c2)CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000072425095 216214700 /nfs/dbraw/zinc/21/47/00/216214700.db2.gz JMNPDINBIDHPKH-UHFFFAOYSA-N 1 2 337.782 2.752 50 0 EFAALO O=C(C[C@H]1COCC[N@@H+]1Cc1ccsc1)N1CCC(F)(F)CC1 ZINC000072426876 216218047 /nfs/dbraw/zinc/21/80/47/216218047.db2.gz XSVIEOKVBJQKAT-AWEZNQCLSA-N 1 2 344.427 2.597 50 0 EFAALO O=C(C[C@H]1COCC[N@H+]1Cc1ccsc1)N1CCC(F)(F)CC1 ZINC000072426876 216218051 /nfs/dbraw/zinc/21/80/51/216218051.db2.gz XSVIEOKVBJQKAT-AWEZNQCLSA-N 1 2 344.427 2.597 50 0 EFAALO Cc1nn(C)c2nc(-c3ccccn3)nc(NC[C@@H](C)n3cc[nH+]c3)c12 ZINC000072474797 216251992 /nfs/dbraw/zinc/25/19/92/216251992.db2.gz PIUINUCFNZNSNW-GFCCVEGCSA-N 1 2 348.414 2.603 50 0 EFAALO CCC(CC)C(=O)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528463 213213454 /nfs/dbraw/zinc/21/34/54/213213454.db2.gz GJRPHHQBDTUKBE-UHFFFAOYSA-N 1 2 345.491 2.552 50 0 EFAALO CCC(CC)C(=O)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528463 213213457 /nfs/dbraw/zinc/21/34/57/213213457.db2.gz GJRPHHQBDTUKBE-UHFFFAOYSA-N 1 2 345.491 2.552 50 0 EFAALO O=C(NCc1ccncc1)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000023130174 212351985 /nfs/dbraw/zinc/35/19/85/212351985.db2.gz GTICYHDVZBUDDU-UHFFFAOYSA-N 1 2 348.406 2.558 50 0 EFAALO O=C(NCc1ccncc1)c1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000023130174 212351988 /nfs/dbraw/zinc/35/19/88/212351988.db2.gz GTICYHDVZBUDDU-UHFFFAOYSA-N 1 2 348.406 2.558 50 0 EFAALO Cc1ccc(C)c(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000022752675 212321180 /nfs/dbraw/zinc/32/11/80/212321180.db2.gz CHXKZXGFUWWGCT-UHFFFAOYSA-N 1 2 327.428 2.653 50 0 EFAALO O=C(C[C@H]1[NH2+]CCc2c3ccccc3[nH]c2C1=O)Nc1ccccc1 ZINC000038571127 283875172 /nfs/dbraw/zinc/87/51/72/283875172.db2.gz XFJQLPHHGKAXEN-QGZVFWFLSA-N 1 2 333.391 2.894 50 0 biogenic EFAALO Cn1cc(SCC(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000215229160 241115744 /nfs/dbraw/zinc/11/57/44/241115744.db2.gz MGYPFNMCXSSRFN-UHFFFAOYSA-N 1 2 328.441 2.673 50 0 EFAALO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OC)c2cccc(OC)c12 ZINC000215494453 241128233 /nfs/dbraw/zinc/12/82/33/241128233.db2.gz AKDKSVLBPWELMJ-HNNXBMFYSA-N 1 2 328.412 2.567 50 0 EFAALO CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OC)c2cccc(OC)c12 ZINC000215494453 241128237 /nfs/dbraw/zinc/12/82/37/241128237.db2.gz AKDKSVLBPWELMJ-HNNXBMFYSA-N 1 2 328.412 2.567 50 0 EFAALO COCCn1cc[nH+]c1CN(C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000215525451 241131428 /nfs/dbraw/zinc/13/14/28/241131428.db2.gz VGTYRPVAULBRBZ-UHFFFAOYSA-N 1 2 333.823 2.691 50 0 EFAALO COc1cccc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2ccncc2)c1 ZINC000219531917 241392512 /nfs/dbraw/zinc/39/25/12/241392512.db2.gz ADHAZVOIHOQGLT-LJQANCHMSA-N 1 2 339.439 2.886 50 0 EFAALO COc1cccc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccncc2)c1 ZINC000219531917 241392517 /nfs/dbraw/zinc/39/25/17/241392517.db2.gz ADHAZVOIHOQGLT-LJQANCHMSA-N 1 2 339.439 2.886 50 0 EFAALO CCOC(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC1 ZINC000020912022 212186525 /nfs/dbraw/zinc/18/65/25/212186525.db2.gz PNODSPGPACEOQV-UHFFFAOYSA-N 1 2 342.443 2.968 50 0 EFAALO Cc1ccc2[nH]c(CCCNC(=O)CCCn3cccn3)[nH+]c2c1C ZINC000244701037 243060004 /nfs/dbraw/zinc/06/00/04/243060004.db2.gz JYUFUDXCCCJVKS-UHFFFAOYSA-N 1 2 339.443 2.905 50 0 EFAALO O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000243893339 243029837 /nfs/dbraw/zinc/02/98/37/243029837.db2.gz AQADOUZAOCNQMY-IBGZPJMESA-N 1 2 338.455 2.569 50 0 EFAALO O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000243893339 243029841 /nfs/dbraw/zinc/02/98/41/243029841.db2.gz AQADOUZAOCNQMY-IBGZPJMESA-N 1 2 338.455 2.569 50 0 EFAALO C[C@H](c1ccncn1)[N@H+](C)CC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000244874488 243093796 /nfs/dbraw/zinc/09/37/96/243093796.db2.gz XCGKFBPBTDWQAZ-LLVKDONJSA-N 1 2 333.461 2.862 50 0 EFAALO C[C@H](c1ccncn1)[N@@H+](C)CC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000244874488 243093801 /nfs/dbraw/zinc/09/38/01/243093801.db2.gz XCGKFBPBTDWQAZ-LLVKDONJSA-N 1 2 333.461 2.862 50 0 EFAALO O=C(NCC[NH+]1CCOCC1)Nc1ccccc1-c1ccccc1 ZINC000020661130 212159851 /nfs/dbraw/zinc/15/98/51/212159851.db2.gz QLQWKHATWUZNAK-UHFFFAOYSA-N 1 2 325.412 2.807 50 0 EFAALO O=C(c1noc2c1CCCC2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020614119 212154848 /nfs/dbraw/zinc/15/48/48/212154848.db2.gz NTZDFQANHYYBNY-UHFFFAOYSA-N 1 2 343.402 2.651 50 0 EFAALO CCOC(=O)N1CC[NH+](Cc2cc(=O)oc3cc(C)cc(C)c23)CC1 ZINC000020610360 212154716 /nfs/dbraw/zinc/15/47/16/212154716.db2.gz KMLMLQZLWXYFCI-UHFFFAOYSA-N 1 2 344.411 2.684 50 0 biogenic EFAALO O=C(NCC[NH+]1CCOCC1)c1cccc(Oc2ccccc2)c1 ZINC000020530037 212143995 /nfs/dbraw/zinc/14/39/95/212143995.db2.gz MVMFUZDFMZVYRI-UHFFFAOYSA-N 1 2 326.396 2.541 50 0 EFAALO COc1cccc(C[C@H]2C[N@H+](Cc3nc(C)c(C)nc3C)CCO2)c1 ZINC000020323756 212119946 /nfs/dbraw/zinc/11/99/46/212119946.db2.gz YWDQQXPCQSXZKX-IBGZPJMESA-N 1 2 341.455 2.854 50 0 EFAALO COc1cccc(C[C@H]2C[N@@H+](Cc3nc(C)c(C)nc3C)CCO2)c1 ZINC000020323756 212119950 /nfs/dbraw/zinc/11/99/50/212119950.db2.gz YWDQQXPCQSXZKX-IBGZPJMESA-N 1 2 341.455 2.854 50 0 EFAALO CC[C@H](C)n1c(=O)c([C@H]2[NH2+]CCc3ccccc32)c(O)[nH]c1=S ZINC000020149732 212106766 /nfs/dbraw/zinc/10/67/66/212106766.db2.gz IVNSGPKXWFKZIV-HZMBPMFUSA-N 1 2 331.441 2.818 50 0 EFAALO CC[C@H](C)n1c(O)c([C@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=S ZINC000020149732 212106767 /nfs/dbraw/zinc/10/67/67/212106767.db2.gz IVNSGPKXWFKZIV-HZMBPMFUSA-N 1 2 331.441 2.818 50 0 EFAALO CC[C@H](C)n1c(=O)c([C@@H]2[NH2+]CCc3ccccc32)c(O)[nH]c1=S ZINC000020149728 212106558 /nfs/dbraw/zinc/10/65/58/212106558.db2.gz IVNSGPKXWFKZIV-IINYFYTJSA-N 1 2 331.441 2.818 50 0 EFAALO CC[C@H](C)n1c(O)c([C@@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=S ZINC000020149728 212106562 /nfs/dbraw/zinc/10/65/62/212106562.db2.gz IVNSGPKXWFKZIV-IINYFYTJSA-N 1 2 331.441 2.818 50 0 EFAALO C[N@@H+](Cc1ccc(-n2cccn2)cc1)CN1C(=O)c2ccccc2C1=O ZINC000020045221 212097060 /nfs/dbraw/zinc/09/70/60/212097060.db2.gz DXQGLQUTCHKSSP-UHFFFAOYSA-N 1 2 346.390 2.558 50 0 EFAALO C[N@H+](Cc1ccc(-n2cccn2)cc1)CN1C(=O)c2ccccc2C1=O ZINC000020045221 212097062 /nfs/dbraw/zinc/09/70/62/212097062.db2.gz DXQGLQUTCHKSSP-UHFFFAOYSA-N 1 2 346.390 2.558 50 0 EFAALO CCCCc1c(O)nc(SCC[NH+](C)C)n(-c2ccccc2)c1=O ZINC000020101358 212100612 /nfs/dbraw/zinc/10/06/12/212100612.db2.gz ZACGNQPZHZDXDB-UHFFFAOYSA-N 1 2 347.484 2.934 50 0 EFAALO O=S(=O)(/C=C/c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020024150 212094632 /nfs/dbraw/zinc/09/46/32/212094632.db2.gz MKCLLEUTXFVXRL-LFIBNONCSA-N 1 2 342.464 2.805 50 0 EFAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000020028768 212094685 /nfs/dbraw/zinc/09/46/85/212094685.db2.gz UFYMKQCZKSNPRU-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 EFAALO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019848719 212076668 /nfs/dbraw/zinc/07/66/68/212076668.db2.gz YLEAUZRUDYETMU-UHFFFAOYSA-N 1 2 338.407 2.682 50 0 EFAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000019853577 212076093 /nfs/dbraw/zinc/07/60/93/212076093.db2.gz KAVLXDGOOGZOKY-UHFFFAOYSA-N 1 2 344.480 2.643 50 0 EFAALO CSc1ccc(Br)cc1C(=O)N1CC[NH+](C)CC1 ZINC000019881211 212078614 /nfs/dbraw/zinc/07/86/14/212078614.db2.gz YQCOJZIOEAKJFA-UHFFFAOYSA-N 1 2 329.263 2.559 50 0 EFAALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019866265 212077917 /nfs/dbraw/zinc/07/79/17/212077917.db2.gz QLEJIPPPJVEACG-UHFFFAOYSA-N 1 2 338.407 2.682 50 0 EFAALO COc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019832217 212072940 /nfs/dbraw/zinc/07/29/40/212072940.db2.gz SHYVLTZBNFZLOL-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO C[C@@H]1CCc2c(sc3ncnc(NCC[NH+]4CCOCC4)c23)C1 ZINC000019792105 212067672 /nfs/dbraw/zinc/06/76/72/212067672.db2.gz FDLNQLMGCVOTAT-GFCCVEGCSA-N 1 2 332.473 2.560 50 0 EFAALO Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000019790334 212067562 /nfs/dbraw/zinc/06/75/62/212067562.db2.gz FDHJBFAQIMRGDW-UHFFFAOYSA-N 1 2 342.414 2.857 50 0 EFAALO CCOc1cc(CN2CC[NH+](Cc3ccccn3)CC2)ccc1OC ZINC000019789467 212066304 /nfs/dbraw/zinc/06/63/04/212066304.db2.gz DXFGANQJNSJNNR-UHFFFAOYSA-N 1 2 341.455 2.807 50 0 EFAALO CCOc1cc(C[NH+]2CCN(Cc3ccccn3)CC2)ccc1OC ZINC000019789467 212066305 /nfs/dbraw/zinc/06/63/05/212066305.db2.gz DXFGANQJNSJNNR-UHFFFAOYSA-N 1 2 341.455 2.807 50 0 EFAALO COc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019760762 212062898 /nfs/dbraw/zinc/06/28/98/212062898.db2.gz WTDKUJWVEBPSIW-UHFFFAOYSA-N 1 2 326.396 2.780 50 0 EFAALO O=C(COc1ccccc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019773558 212064237 /nfs/dbraw/zinc/06/42/37/212064237.db2.gz XDEQVLZTNIFZAG-UHFFFAOYSA-N 1 2 328.387 2.549 50 0 EFAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000019773693 212063847 /nfs/dbraw/zinc/06/38/47/212063847.db2.gz GAFOVUXWPBHEDG-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO C[C@@H]1CCc2sc3ncnc(NCC[NH+]4CCOCC4)c3c2C1 ZINC000019682047 212054279 /nfs/dbraw/zinc/05/42/79/212054279.db2.gz OVNODESDYGDNIQ-GFCCVEGCSA-N 1 2 332.473 2.560 50 0 EFAALO COc1cc(CN2CC[NH+](Cc3ccco3)CC2)cc(OC)c1OC ZINC000019360209 212021321 /nfs/dbraw/zinc/02/13/21/212021321.db2.gz VGCFGINKIPHSHA-UHFFFAOYSA-N 1 2 346.427 2.623 50 0 EFAALO O=C(Cn1cc[nH+]c1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000019338184 212017998 /nfs/dbraw/zinc/01/79/98/212017998.db2.gz AIEQEPQUNKLMHV-KRWDZBQOSA-N 1 2 326.787 2.837 50 0 EFAALO Cc1[nH+]ccn1[C@H](C)C(=O)N(C)CCc1nc2cccc(C)c2[nH]1 ZINC000426399458 247275223 /nfs/dbraw/zinc/27/52/23/247275223.db2.gz UDVTVVYLEDWZCC-CYBMUJFWSA-N 1 2 325.416 2.638 50 0 EFAALO Cc1nc(N(C)Cc2noc(C3CCCC3)n2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426399049 247276399 /nfs/dbraw/zinc/27/63/99/247276399.db2.gz OJSVZTVRMWXZJA-CQSZACIVSA-N 1 2 343.431 2.966 50 0 EFAALO O=C(c1ccc[nH]1)N1CC[NH+](Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000216224757 296246424 /nfs/dbraw/zinc/24/64/24/296246424.db2.gz ZWDNMHHNUXAJGZ-KRWDZBQOSA-N 1 2 343.427 2.807 50 0 EFAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1cn(C2CCCCCC2)nn1 ZINC000012441571 211383112 /nfs/dbraw/zinc/38/31/12/211383112.db2.gz XJVNVJMRBLBGAM-UHFFFAOYSA-N 1 2 344.463 2.958 50 0 EFAALO CCn1cc[nH+]c1CN(C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000012437650 211381473 /nfs/dbraw/zinc/38/14/73/211381473.db2.gz PMHXBCSRJFEEKP-UHFFFAOYSA-N 1 2 329.379 2.648 50 0 EFAALO COCCn1c[nH+]cc1CN1C[C@](C)(c2ccccc2)CCC1=O ZINC000091391146 218000100 /nfs/dbraw/zinc/00/01/00/218000100.db2.gz NPSVQLGECPSOFG-LJQANCHMSA-N 1 2 327.428 2.610 50 0 EFAALO Cn1cc[nH+]c1CN1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000011935308 211272846 /nfs/dbraw/zinc/27/28/46/211272846.db2.gz BPYQKZKWFVURES-HNNXBMFYSA-N 1 2 339.361 2.882 50 0 EFAALO C[NH+](C)[C@@H](C(=O)NCCSc1ccccn1)c1ccccc1F ZINC000091425270 218003953 /nfs/dbraw/zinc/00/39/53/218003953.db2.gz IVMFUHKJSFXIDK-MRXNPFEDSA-N 1 2 333.432 2.732 50 0 EFAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1cn(C2CCCCC2)nn1 ZINC000011936671 211272631 /nfs/dbraw/zinc/27/26/31/211272631.db2.gz PUVCMVQMISFVQT-UHFFFAOYSA-N 1 2 330.436 2.568 50 0 EFAALO CSCc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)o1 ZINC000011935460 211272284 /nfs/dbraw/zinc/27/22/84/211272284.db2.gz DCWMPSHLEKLRTN-UHFFFAOYSA-N 1 2 328.397 2.653 50 0 EFAALO O=C(CCc1cc(Cl)no1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000091621260 218033243 /nfs/dbraw/zinc/03/32/43/218033243.db2.gz FWUMOZHPOSDFEV-ZDUSSCGKSA-N 1 2 336.823 2.929 50 0 EFAALO COCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000091518889 218016361 /nfs/dbraw/zinc/01/63/61/218016361.db2.gz NLECDJKRVLHIPW-KRWDZBQOSA-N 1 2 343.427 2.607 50 0 EFAALO COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000091518889 218016363 /nfs/dbraw/zinc/01/63/63/218016363.db2.gz NLECDJKRVLHIPW-KRWDZBQOSA-N 1 2 343.427 2.607 50 0 EFAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000091551962 218021851 /nfs/dbraw/zinc/02/18/51/218021851.db2.gz SCNNGJKURJFMME-CYBMUJFWSA-N 1 2 349.381 2.828 50 0 EFAALO COCC[C@@]1(CO)CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000091596151 218029680 /nfs/dbraw/zinc/02/96/80/218029680.db2.gz TYNQFJHPKUKASY-HNNXBMFYSA-N 1 2 333.259 2.999 50 0 EFAALO COCC[C@@]1(CO)CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000091596151 218029682 /nfs/dbraw/zinc/02/96/82/218029682.db2.gz TYNQFJHPKUKASY-HNNXBMFYSA-N 1 2 333.259 2.999 50 0 EFAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)NCc2cccnc2)no1 ZINC000011819859 211252922 /nfs/dbraw/zinc/25/29/22/211252922.db2.gz KTVNPVDNMFCQEB-UHFFFAOYSA-N 1 2 347.378 2.706 50 0 EFAALO O=C(NCc1nc(C2CCCCC2)no1)c1ccc2[nH+]ccn2c1 ZINC000091691476 218047657 /nfs/dbraw/zinc/04/76/57/218047657.db2.gz KTSNXKPGTOHDCK-UHFFFAOYSA-N 1 2 325.372 2.695 50 0 EFAALO Cn1c(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCC(=O)[O-])C2)cc2ccccc21 ZINC000091693848 218049512 /nfs/dbraw/zinc/04/95/12/218049512.db2.gz NAEDYXXARXHTAR-AEFFLSMTSA-N 1 2 343.471 2.795 50 0 EFAALO Cn1c(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCC(=O)[O-])C2)cc2ccccc21 ZINC000091693848 218049514 /nfs/dbraw/zinc/04/95/14/218049514.db2.gz NAEDYXXARXHTAR-AEFFLSMTSA-N 1 2 343.471 2.795 50 0 EFAALO Cc1[nH]ccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091626210 218035934 /nfs/dbraw/zinc/03/59/34/218035934.db2.gz PBVQQAVXNPGCCZ-QGZVFWFLSA-N 1 2 349.438 2.983 50 0 EFAALO Cc1nc2cc(C)ccn2c1C(=O)N1CCC(c2[nH+]ccn2C)CC1 ZINC000091635735 218037072 /nfs/dbraw/zinc/03/70/72/218037072.db2.gz RFOMOBUYOVNKFJ-UHFFFAOYSA-N 1 2 337.427 2.704 50 0 EFAALO Cc1nn2c(nc(C[N@@H+]3CCC[C@@](C)(c4ccccc4)C3)cc2=O)[nH]1 ZINC000091646080 218040051 /nfs/dbraw/zinc/04/00/51/218040051.db2.gz XSSRTJLAKGDBNS-LJQANCHMSA-N 1 2 337.427 2.692 50 0 EFAALO Cc1nn2c(nc(C[N@H+]3CCC[C@@](C)(c4ccccc4)C3)cc2=O)[nH]1 ZINC000091646080 218040054 /nfs/dbraw/zinc/04/00/54/218040054.db2.gz XSSRTJLAKGDBNS-LJQANCHMSA-N 1 2 337.427 2.692 50 0 EFAALO Cc1cc(C)c(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cn1 ZINC000091818113 218070950 /nfs/dbraw/zinc/07/09/50/218070950.db2.gz NDXAFJICUMBURR-UHFFFAOYSA-N 1 2 339.439 2.535 50 0 EFAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NC[C@@H]1OCCc2ccccc21 ZINC000091847686 218076017 /nfs/dbraw/zinc/07/60/17/218076017.db2.gz RQZLZUKBGPEEGU-IBGZPJMESA-N 1 2 347.418 2.980 50 0 EFAALO C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000091895005 218085454 /nfs/dbraw/zinc/08/54/54/218085454.db2.gz XPGQDFSDJWRSEO-ZDUSSCGKSA-N 1 2 337.379 2.939 50 0 EFAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000091907637 218086841 /nfs/dbraw/zinc/08/68/41/218086841.db2.gz RPLJJVRSANESHM-HNNXBMFYSA-N 1 2 334.464 2.751 50 0 EFAALO OCc1ccc(Cn2cc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cc1 ZINC000092038388 218108342 /nfs/dbraw/zinc/10/83/42/218108342.db2.gz GCEBRRYFTCMAQE-UHFFFAOYSA-N 1 2 331.379 2.671 50 0 EFAALO O=C(NCCCn1cc[nH+]c1)c1cnn(-c2ccccc2)c1Cl ZINC000095117416 218282000 /nfs/dbraw/zinc/28/20/00/218282000.db2.gz LIDVEYYPIVVPEJ-UHFFFAOYSA-N 1 2 329.791 2.542 50 0 EFAALO CC(C)Cc1cc(CNC(=O)[C@@H](c2ccccc2F)[NH+](C)C)on1 ZINC000095352447 218286614 /nfs/dbraw/zinc/28/66/14/218286614.db2.gz NWKNKTJRMSKLTA-QGZVFWFLSA-N 1 2 333.407 2.931 50 0 EFAALO C[C@@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095357372 218290913 /nfs/dbraw/zinc/29/09/13/218290913.db2.gz PJVFINURGWKDSL-HNNXBMFYSA-N 1 2 341.459 2.532 50 0 EFAALO Cc1cc(C)c(CNC(=O)C2CCN(C(=O)C3CCCC3)CC2)c[nH+]1 ZINC000095363352 218297327 /nfs/dbraw/zinc/29/73/27/218297327.db2.gz SWDHOPIXWPINIV-UHFFFAOYSA-N 1 2 343.471 2.743 50 0 EFAALO O=C(c1ccco1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095365412 218298265 /nfs/dbraw/zinc/29/82/65/218298265.db2.gz YGTKWZKNETYSMG-INIZCTEOSA-N 1 2 336.395 2.939 50 0 EFAALO CCCc1c[nH+]c(C)nc1N1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CCC1 ZINC000095390358 218321404 /nfs/dbraw/zinc/32/14/04/218321404.db2.gz LICKEPLRYNOZSA-ZWKOTPCHSA-N 1 2 342.487 2.965 50 0 EFAALO C[NH+](C)[C@@H](C(=O)NCCN1CCc2ccccc21)c1ccccc1F ZINC000095392165 218323375 /nfs/dbraw/zinc/32/33/75/218323375.db2.gz BYIFASPNNKTWCN-LJQANCHMSA-N 1 2 341.430 2.607 50 0 EFAALO Cc1nc2ccc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)cc2nc1C ZINC000095384569 218316414 /nfs/dbraw/zinc/31/64/14/218316414.db2.gz VHWSYITWTKNFRU-MRXNPFEDSA-N 1 2 349.438 2.996 50 0 EFAALO Cc1nc2ccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cc2nc1C ZINC000095384570 218316798 /nfs/dbraw/zinc/31/67/98/218316798.db2.gz VHWSYITWTKNFRU-INIZCTEOSA-N 1 2 349.438 2.996 50 0 EFAALO C[NH+](C)[C@H](C(=O)NCCN1CCc2ccccc21)c1ccccc1F ZINC000095392164 218324435 /nfs/dbraw/zinc/32/44/35/218324435.db2.gz BYIFASPNNKTWCN-IBGZPJMESA-N 1 2 341.430 2.607 50 0 EFAALO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Nc1ccccc1 ZINC000096121409 218613466 /nfs/dbraw/zinc/61/34/66/218613466.db2.gz MAOOSUBVIJDQPB-UHFFFAOYSA-N 1 2 326.404 2.787 50 0 EFAALO S=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccco2)CC1 ZINC000004999183 210355385 /nfs/dbraw/zinc/35/53/85/210355385.db2.gz SJXKOSOSNRUTAX-UHFFFAOYSA-N 1 2 345.424 2.523 50 0 EFAALO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCc4[nH+]c(C)cn4C3)cc2)n1 ZINC000097198705 218986873 /nfs/dbraw/zinc/98/68/73/218986873.db2.gz UKPCIQHTGJFQGH-QGZVFWFLSA-N 1 2 349.438 2.739 50 0 EFAALO COC[C@@H](c1ccccn1)N(C)C(=O)CCc1cn2ccccc2[nH+]1 ZINC000097475133 219028340 /nfs/dbraw/zinc/02/83/40/219028340.db2.gz XWZACDAEVHAWON-KRWDZBQOSA-N 1 2 338.411 2.508 50 0 EFAALO CC1=[NH+]NC(SCC(=O)N2CCc3ccccc32)=NC(C)(C)C1 ZINC000004784203 210277090 /nfs/dbraw/zinc/27/70/90/210277090.db2.gz BVKVTNZLJKARIG-UHFFFAOYSA-N 1 2 330.457 2.813 50 0 EFAALO CCc1nnc(CN(C(=O)Cc2c[nH+]c3c(C)cccn23)C(C)C)o1 ZINC000097600898 219038726 /nfs/dbraw/zinc/03/87/26/219038726.db2.gz AOBOKFWBYKFPBX-UHFFFAOYSA-N 1 2 341.415 2.568 50 0 EFAALO CSCc1ccc(C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)o1 ZINC000299772612 258085025 /nfs/dbraw/zinc/08/50/25/258085025.db2.gz AIMBEJGBFHTVBK-UHFFFAOYSA-N 1 2 345.468 2.886 50 0 EFAALO CSCc1ccc(C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)o1 ZINC000299772612 258085027 /nfs/dbraw/zinc/08/50/27/258085027.db2.gz AIMBEJGBFHTVBK-UHFFFAOYSA-N 1 2 345.468 2.886 50 0 EFAALO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)CCc2cc(=O)[nH]o2)cc1 ZINC000299780960 258089361 /nfs/dbraw/zinc/08/93/61/258089361.db2.gz CBYQPRBCQUNACE-KRWDZBQOSA-N 1 2 343.427 2.738 50 0 EFAALO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)CCc2cc(=O)[nH]o2)cc1 ZINC000299780961 258089500 /nfs/dbraw/zinc/08/95/00/258089500.db2.gz CBYQPRBCQUNACE-QGZVFWFLSA-N 1 2 343.427 2.738 50 0 EFAALO Cc1nc(N(CCO)Cc2ccccc2Cl)cc([C@H]2CCOC2)[nH+]1 ZINC000299791410 258096799 /nfs/dbraw/zinc/09/67/99/258096799.db2.gz COJMBYMNBCFLII-HNNXBMFYSA-N 1 2 347.846 2.941 50 0 EFAALO CCc1ccccc1C[N@@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299795260 258099934 /nfs/dbraw/zinc/09/99/34/258099934.db2.gz OCZSPLHOGYXPLX-UHFFFAOYSA-N 1 2 348.454 2.863 50 0 EFAALO CCc1ccccc1C[N@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299795260 258099936 /nfs/dbraw/zinc/09/99/36/258099936.db2.gz OCZSPLHOGYXPLX-UHFFFAOYSA-N 1 2 348.454 2.863 50 0 EFAALO O=C(CCc1cc(=O)[nH]o1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299797612 258101690 /nfs/dbraw/zinc/10/16/90/258101690.db2.gz OVAREOUGVIUXLJ-KRWDZBQOSA-N 1 2 343.427 2.656 50 0 EFAALO COc1ccc2[nH]c(CCN(C)C(=O)C(C)(C)n3cccc3)[nH+]c2c1 ZINC000299760157 258077458 /nfs/dbraw/zinc/07/74/58/258077458.db2.gz SDTSUOIESDOQLF-UHFFFAOYSA-N 1 2 340.427 2.809 50 0 EFAALO CN(CCCc1[nH+]ccn1C)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000299762677 258079362 /nfs/dbraw/zinc/07/93/62/258079362.db2.gz WHCXXGFGFOWPFR-UHFFFAOYSA-N 1 2 326.322 2.934 50 0 EFAALO COc1ccccc1N1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000054277323 132190680 /nfs/dbraw/zinc/19/06/80/132190680.db2.gz FHFZLYMWFUFTCQ-UHFFFAOYSA-N 1 2 345.487 2.656 50 0 EFAALO Cc1cccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1C ZINC000055060380 132193340 /nfs/dbraw/zinc/19/33/40/132193340.db2.gz NQMPONZEIHEULB-UHFFFAOYSA-N 1 2 337.467 2.742 50 0 EFAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cn1 ZINC000055095278 132194087 /nfs/dbraw/zinc/19/40/87/132194087.db2.gz NSXGQXOEKQLRFX-UHFFFAOYSA-N 1 2 348.809 2.635 50 0 EFAALO Cc1oc(-c2ccsc2)nc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000055270942 132194249 /nfs/dbraw/zinc/19/42/49/132194249.db2.gz CLJMDZXEKFDEKS-UHFFFAOYSA-N 1 2 341.440 2.824 50 0 EFAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057291797 132199262 /nfs/dbraw/zinc/19/92/62/132199262.db2.gz BADCTCWZSZYNLQ-QAPCUYQASA-N 1 2 333.451 2.643 50 0 EFAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1 ZINC000057290098 132199398 /nfs/dbraw/zinc/19/93/98/132199398.db2.gz WFXFABGIIZAMFK-UHFFFAOYSA-N 1 2 349.356 2.865 50 0 EFAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCCc2ccccc21 ZINC000057532267 132200842 /nfs/dbraw/zinc/20/08/42/132200842.db2.gz FXBIUPIUKVKUMY-UHFFFAOYSA-N 1 2 335.451 2.788 50 0 EFAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccco1)[N@H+](C)CC3)OCO2 ZINC000020111750 286188628 /nfs/dbraw/zinc/18/86/28/286188628.db2.gz LIPLYILYLZINQK-GFCCVEGCSA-N 1 2 329.352 2.819 50 0 biogenic EFAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccco1)[N@@H+](C)CC3)OCO2 ZINC000020111750 286188629 /nfs/dbraw/zinc/18/86/29/286188629.db2.gz LIPLYILYLZINQK-GFCCVEGCSA-N 1 2 329.352 2.819 50 0 biogenic EFAALO CC(C)c1noc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)n1 ZINC000082086656 276078202 /nfs/dbraw/zinc/07/82/02/276078202.db2.gz HLTOUMBLCOESNF-UHFFFAOYSA-N 1 2 341.415 2.592 50 0 EFAALO Cn1ccnc1C[N@H+](Cc1cc(F)ccc1-n1cccn1)C1CC1 ZINC000097805479 279374018 /nfs/dbraw/zinc/37/40/18/279374018.db2.gz LKIQCKODAYEEHI-UHFFFAOYSA-N 1 2 325.391 2.910 50 0 EFAALO Cn1ccnc1C[N@@H+](Cc1cc(F)ccc1-n1cccn1)C1CC1 ZINC000097805479 279374019 /nfs/dbraw/zinc/37/40/19/279374019.db2.gz LKIQCKODAYEEHI-UHFFFAOYSA-N 1 2 325.391 2.910 50 0 EFAALO Cn1cc[nH+]c1CN(Cc1cc(F)ccc1-n1cccn1)C1CC1 ZINC000097805479 279374020 /nfs/dbraw/zinc/37/40/20/279374020.db2.gz LKIQCKODAYEEHI-UHFFFAOYSA-N 1 2 325.391 2.910 50 0 EFAALO O=c1c2ccccc2nc(-c2ccccc2)n1CCC[NH+]1CCOCC1 ZINC000020519020 280391925 /nfs/dbraw/zinc/39/19/25/280391925.db2.gz NFZRCUFUBRDVTD-UHFFFAOYSA-N 1 2 349.434 2.786 50 0 EFAALO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000005177680 295024817 /nfs/dbraw/zinc/02/48/17/295024817.db2.gz GDNXMYHQDITEBI-ZJUUUORDSA-N 1 2 337.253 2.647 50 0 EFAALO Cc1nc2ccc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)cc2nc1C ZINC000095497612 473213952 /nfs/dbraw/zinc/21/39/52/473213952.db2.gz NXJUBIQJQHGEKU-MRXNPFEDSA-N 1 2 349.438 3.000 50 0 EFAALO CCCc1cc(N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)nc(C)[nH+]1 ZINC000095504096 473215987 /nfs/dbraw/zinc/21/59/87/473215987.db2.gz RHQPICSACVKQJD-YLJYHZDGSA-N 1 2 339.439 2.712 50 0 EFAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000095521976 473219470 /nfs/dbraw/zinc/21/94/70/473219470.db2.gz KJYUFRNVCIDKIC-MRXNPFEDSA-N 1 2 329.448 2.916 50 0 EFAALO COc1cc2c(cc1C(=O)N1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000095526076 473220910 /nfs/dbraw/zinc/22/09/10/473220910.db2.gz GDRGESASDDECKT-OAHLLOKOSA-N 1 2 325.412 2.927 50 0 EFAALO Cc1ccccc1[C@H](C(=O)N(C)CC(=O)c1ccc(O)cc1)[NH+](C)C ZINC000095527303 473221345 /nfs/dbraw/zinc/22/13/45/473221345.db2.gz RIFNHZQHVVTOFB-LJQANCHMSA-N 1 2 340.423 2.645 50 0 EFAALO Cn1cc[nH+]c1CC[C@H]1CCCCN1C(=O)c1cnn2ccccc12 ZINC000082134832 473293999 /nfs/dbraw/zinc/29/39/99/473293999.db2.gz YABFBEMFJAWJQL-OAHLLOKOSA-N 1 2 337.427 2.695 50 0 EFAALO COC(=O)c1ccc(C(=O)N(Cc2c[nH+]c3ccccn23)C2CC2)cc1 ZINC000096097114 473295044 /nfs/dbraw/zinc/29/50/44/473295044.db2.gz XCIGKZJAKQOCAI-UHFFFAOYSA-N 1 2 349.390 2.926 50 0 EFAALO COc1c(F)cc(CNC(=O)c2ccc3[nH+]c(C)cn3c2)cc1F ZINC000082146730 473295243 /nfs/dbraw/zinc/29/52/43/473295243.db2.gz JRLPANDSWNSZMP-UHFFFAOYSA-N 1 2 331.322 2.860 50 0 EFAALO CCn1nc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc1C ZINC000082138899 473295343 /nfs/dbraw/zinc/29/53/43/473295343.db2.gz MTTDBEDSNOLLLD-INIZCTEOSA-N 1 2 341.459 2.838 50 0 EFAALO CC(C)c1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)n(C)n1 ZINC000082138358 473296278 /nfs/dbraw/zinc/29/62/78/473296278.db2.gz YVSDDWJWTGYDMW-UHFFFAOYSA-N 1 2 332.473 2.563 50 0 EFAALO Cc1cccc2[nH+]c([C@@H]3CCCN(c4cc(C(N)=O)ccn4)C3)[nH]c21 ZINC000096133678 473310024 /nfs/dbraw/zinc/31/00/24/473310024.db2.gz LYIDRCMUKKQKGU-CQSZACIVSA-N 1 2 335.411 2.749 50 0 EFAALO Cc1cccc2[nH]c([C@@H]3CCCN(c4cc(C(N)=O)ccn4)C3)[nH+]c21 ZINC000096133678 473310033 /nfs/dbraw/zinc/31/00/33/473310033.db2.gz LYIDRCMUKKQKGU-CQSZACIVSA-N 1 2 335.411 2.749 50 0 EFAALO Cc1ccc(-c2nc([C@@H](c3cccc(F)c3)[NH+](C)C)n(CCO)n2)o1 ZINC000096136234 473311925 /nfs/dbraw/zinc/31/19/25/473311925.db2.gz CDKCSCLOHGJGAY-MRXNPFEDSA-N 1 2 344.390 2.629 50 0 EFAALO O=C(NC[C@@H]1CCCN(c2cccc[nH+]2)C1)Nc1ccc(F)nc1 ZINC000096132604 473309889 /nfs/dbraw/zinc/30/98/89/473309889.db2.gz ABBIWFNAESTPLQ-ZDUSSCGKSA-N 1 2 329.379 2.654 50 0 EFAALO CCC(=O)Nc1cc(NC(=O)NCCCc2[nH]cc[nH+]2)ccc1OC ZINC000096153616 473315610 /nfs/dbraw/zinc/31/56/10/473315610.db2.gz BHLBTSOYGKWVDS-UHFFFAOYSA-N 1 2 345.403 2.521 50 0 EFAALO Cc1ccc2[nH]c(CCCNC(=O)Nc3cnns3)[nH+]c2c1C ZINC000096161156 473320409 /nfs/dbraw/zinc/32/04/09/473320409.db2.gz HNRMRCSZDFKETD-UHFFFAOYSA-N 1 2 330.417 2.786 50 0 EFAALO CC(C)c1nc(CN(C)c2[nH+]c3c(cc2C(N)=O)CCC3)cs1 ZINC000096162549 473320862 /nfs/dbraw/zinc/32/08/62/473320862.db2.gz NWKYLEKRDYOGDQ-UHFFFAOYSA-N 1 2 330.457 2.886 50 0 EFAALO Cc1nc(C[N@@H+]2C[C@H]3C[NH+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)cs1 ZINC000096163480 473321741 /nfs/dbraw/zinc/32/17/41/473321741.db2.gz HMLUYPGTNYCSNS-KSSFIOAISA-N 1 2 349.500 2.603 50 0 EFAALO Cc1nc(C[N@H+]2C[C@H]3C[NH+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)cs1 ZINC000096163480 473321744 /nfs/dbraw/zinc/32/17/44/473321744.db2.gz HMLUYPGTNYCSNS-KSSFIOAISA-N 1 2 349.500 2.603 50 0 EFAALO Cc1nc(C[NH+]2C[C@H]3C[N@@H+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)cs1 ZINC000096163480 473321749 /nfs/dbraw/zinc/32/17/49/473321749.db2.gz HMLUYPGTNYCSNS-KSSFIOAISA-N 1 2 349.500 2.603 50 0 EFAALO Cc1nc(C[NH+]2C[C@H]3C[N@H+](C4CCCCC4)C[C@@]3(C(=O)[O-])C2)cs1 ZINC000096163480 473321755 /nfs/dbraw/zinc/32/17/55/473321755.db2.gz HMLUYPGTNYCSNS-KSSFIOAISA-N 1 2 349.500 2.603 50 0 EFAALO CC[C@@H](O)Cn1nc(C(C)C)nc1Cc1c(C)[nH+]c2ccccn21 ZINC000096162803 473321901 /nfs/dbraw/zinc/32/19/01/473321901.db2.gz JNBIZPNQWFVCNS-CQSZACIVSA-N 1 2 327.432 2.719 50 0 EFAALO O=C(c1n[nH]c2c1CCCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096231237 473360328 /nfs/dbraw/zinc/36/03/28/473360328.db2.gz KUHTWQANXBEQTE-UHFFFAOYSA-N 1 2 338.455 2.637 50 0 EFAALO COC(=O)C[C@H](c1ccc(O)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096231968 473361088 /nfs/dbraw/zinc/36/10/88/473361088.db2.gz UIFKCMRSKJWQJQ-LLVKDONJSA-N 1 2 330.365 2.798 50 0 EFAALO Cc1ccc(C(=O)CSc2nccc(N3CC[NH+](C)CC3)n2)cc1 ZINC000096306364 473373818 /nfs/dbraw/zinc/37/38/18/473373818.db2.gz ODNCNVIGQWYBAQ-UHFFFAOYSA-N 1 2 342.468 2.512 50 0 EFAALO COc1cc(OC)c(C[N@@H+]2CCCC[C@@H]2CO)cc1Br ZINC000000211175 471335676 /nfs/dbraw/zinc/33/56/76/471335676.db2.gz OHYAVBVYCAPWGB-GFCCVEGCSA-N 1 2 344.249 2.813 50 0 EFAALO COc1cc(OC)c(C[N@H+]2CCCC[C@@H]2CO)cc1Br ZINC000000211175 471335680 /nfs/dbraw/zinc/33/56/80/471335680.db2.gz OHYAVBVYCAPWGB-GFCCVEGCSA-N 1 2 344.249 2.813 50 0 EFAALO COC(=O)c1cccc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000000243152 471340329 /nfs/dbraw/zinc/34/03/29/471340329.db2.gz HTQWURAZDXSEFU-HNNXBMFYSA-N 1 2 340.379 2.571 50 0 EFAALO CCc1c(O)[n+](-c2ccccc2)c2ccc(-c3ccccc3)nn2c1=O ZINC000000344271 471349452 /nfs/dbraw/zinc/34/94/52/471349452.db2.gz KQEVNCPCXSGNEE-UHFFFAOYSA-O 1 2 344.394 2.906 50 0 EFAALO CC[NH+](CC)C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000000393627 471354694 /nfs/dbraw/zinc/35/46/94/471354694.db2.gz ZXAZSOMSADQJHY-UHFFFAOYSA-N 1 2 325.412 2.974 50 0 EFAALO CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000000529058 471368727 /nfs/dbraw/zinc/36/87/27/471368727.db2.gz RUOJVNPMEQZKMW-UHFFFAOYSA-N 1 2 338.407 2.860 50 0 EFAALO CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000000529058 471368729 /nfs/dbraw/zinc/36/87/29/471368729.db2.gz RUOJVNPMEQZKMW-UHFFFAOYSA-N 1 2 338.407 2.860 50 0 EFAALO Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000005002354 471483216 /nfs/dbraw/zinc/48/32/16/471483216.db2.gz YBYFJKJNROHJKQ-MRXNPFEDSA-N 1 2 325.412 2.506 50 0 EFAALO O=c1c(Cc2ccc(F)cc2)c(O)ccn1CCCn1cc[nH+]c1 ZINC000005626257 471513555 /nfs/dbraw/zinc/51/35/55/471513555.db2.gz BVBVYIJKWRZTSE-UHFFFAOYSA-N 1 2 327.359 2.571 50 0 EFAALO COc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000006561001 471551286 /nfs/dbraw/zinc/55/12/86/471551286.db2.gz AIDQJTGMUOXNPX-UHFFFAOYSA-N 1 2 326.396 2.701 50 0 EFAALO COc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000006561001 471551293 /nfs/dbraw/zinc/55/12/93/471551293.db2.gz AIDQJTGMUOXNPX-UHFFFAOYSA-N 1 2 326.396 2.701 50 0 EFAALO CCCOc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000006703138 471560964 /nfs/dbraw/zinc/56/09/64/471560964.db2.gz RMKKPVNYBDQPRB-UHFFFAOYSA-N 1 2 325.412 2.833 50 0 EFAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000007344410 471607066 /nfs/dbraw/zinc/60/70/66/471607066.db2.gz XQKANCMVFGZJRC-UHFFFAOYSA-N 1 2 334.423 2.694 50 0 EFAALO O=C(Cn1ccc2ccc(F)cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000012324282 471772449 /nfs/dbraw/zinc/77/24/49/471772449.db2.gz KXIOOJVPEOQXCE-UHFFFAOYSA-N 1 2 338.386 2.524 50 0 EFAALO COc1ccc(C=O)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000012371094 471773707 /nfs/dbraw/zinc/77/37/07/471773707.db2.gz UESWFMZACPWZCK-UHFFFAOYSA-N 1 2 328.387 2.969 50 0 EFAALO CCn1cc(C(=O)NCc2ccc[nH+]c2N(C)Cc2ccccc2)cn1 ZINC000012591622 471783793 /nfs/dbraw/zinc/78/37/93/471783793.db2.gz QYCCCRCUJSOQOL-UHFFFAOYSA-N 1 2 349.438 2.864 50 0 EFAALO CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013745519 471842725 /nfs/dbraw/zinc/84/27/25/471842725.db2.gz JDIKITFZTLCZSX-GOSISDBHSA-N 1 2 339.439 2.896 50 0 EFAALO Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000013744880 471842764 /nfs/dbraw/zinc/84/27/64/471842764.db2.gz UYOYXSCXSOZXFY-QGZVFWFLSA-N 1 2 339.439 2.815 50 0 EFAALO Cn1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)cn1 ZINC000014191702 471860495 /nfs/dbraw/zinc/86/04/95/471860495.db2.gz WEXNILSMYXULCS-UHFFFAOYSA-N 1 2 327.215 2.797 50 0 EFAALO Cn1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2Cl)cn1 ZINC000014191702 471860500 /nfs/dbraw/zinc/86/05/00/471860500.db2.gz WEXNILSMYXULCS-UHFFFAOYSA-N 1 2 327.215 2.797 50 0 EFAALO O=C(Nc1ccc(Cl)cc1)[C@@H]1C=C(O)NC(Nc2ccccc2)=[NH+]1 ZINC000014606961 471874696 /nfs/dbraw/zinc/87/46/96/471874696.db2.gz IQJVPECDEKDAQC-AWEZNQCLSA-N 1 2 342.786 2.635 50 0 EFAALO Cc1ccccc1CS(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016578378 471941485 /nfs/dbraw/zinc/94/14/85/471941485.db2.gz KXWRXZNSUFUICO-UHFFFAOYSA-N 1 2 344.480 2.643 50 0 EFAALO O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000018254332 471974911 /nfs/dbraw/zinc/97/49/11/471974911.db2.gz UCHKLYVKCMEIHU-UHFFFAOYSA-N 1 2 340.471 2.882 50 0 EFAALO CC(C)c1nc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cs1 ZINC000019812258 471984259 /nfs/dbraw/zinc/98/42/59/471984259.db2.gz HINGZNBWEQPGTM-HNNXBMFYSA-N 1 2 334.489 2.946 50 0 EFAALO CC[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2c(O)[nH]c(=S)[nH]c2=O)[NH2+]1 ZINC000020759748 471992681 /nfs/dbraw/zinc/99/26/81/471992681.db2.gz TYSKKCPATHSIQF-RTHLEPHNSA-N 1 2 342.424 2.633 50 0 biogenic EFAALO CCCc1cc(N2CCN(Cc3[nH]nc(C)c3Cl)CC2)nc(C)[nH+]1 ZINC000067673382 472069018 /nfs/dbraw/zinc/06/90/18/472069018.db2.gz LSCGGYOXRNIOBO-UHFFFAOYSA-N 1 2 348.882 2.745 50 0 EFAALO O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075534558 472152897 /nfs/dbraw/zinc/15/28/97/472152897.db2.gz FNTOJKZQVLWKLE-HNNXBMFYSA-N 1 2 348.406 2.785 50 0 EFAALO Cc1[nH+]ccn1-c1ncc(NC(=O)COc2ccc(Cl)cc2)cn1 ZINC000085470435 472252085 /nfs/dbraw/zinc/25/20/85/472252085.db2.gz HOEDOCMGJFWBMH-UHFFFAOYSA-N 1 2 343.774 2.642 50 0 EFAALO COc1ccc(NC(=O)Nc2cnc(-n3cc[nH+]c3C)nc2)c(C)c1 ZINC000085555636 472256485 /nfs/dbraw/zinc/25/64/85/472256485.db2.gz FEIWUYBVZMHHDL-UHFFFAOYSA-N 1 2 338.371 2.932 50 0 EFAALO CCOC(=O)c1c(N)sc2c1CC[N@H+](CC(=O)c1ccccc1)C2 ZINC000031829557 472397608 /nfs/dbraw/zinc/39/76/08/472397608.db2.gz LRAZAABAHQXGHV-UHFFFAOYSA-N 1 2 344.436 2.748 50 0 EFAALO CCOC(=O)c1c(N)sc2c1CC[N@@H+](CC(=O)c1ccccc1)C2 ZINC000031829557 472397617 /nfs/dbraw/zinc/39/76/17/472397617.db2.gz LRAZAABAHQXGHV-UHFFFAOYSA-N 1 2 344.436 2.748 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cnc(OC(C)C)c(Cl)c1)C2 ZINC000097198297 472475149 /nfs/dbraw/zinc/47/51/49/472475149.db2.gz SCZZZTQXPSCBGS-ZDUSSCGKSA-N 1 2 348.834 2.772 50 0 EFAALO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC000077287079 472494441 /nfs/dbraw/zinc/49/44/41/472494441.db2.gz WOZIKSXHBBJKNJ-OAHLLOKOSA-N 1 2 338.415 2.548 50 0 EFAALO O=C(CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(F)cc1 ZINC000077285965 472494622 /nfs/dbraw/zinc/49/46/22/472494622.db2.gz AATKVHLDCNEZBO-CQSZACIVSA-N 1 2 329.375 2.918 50 0 EFAALO CCCC[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cnn(-c2cccc(F)c2)c1 ZINC000077302438 472497209 /nfs/dbraw/zinc/49/72/09/472497209.db2.gz WSPFYZRAWLEXSN-GOSISDBHSA-N 1 2 344.434 2.844 50 0 EFAALO CCCC[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cnn(-c2cccc(F)c2)c1 ZINC000077302438 472497215 /nfs/dbraw/zinc/49/72/15/472497215.db2.gz WSPFYZRAWLEXSN-GOSISDBHSA-N 1 2 344.434 2.844 50 0 EFAALO COc1cccc(OC[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000077319120 472501062 /nfs/dbraw/zinc/50/10/62/472501062.db2.gz TURAEDVHNDFFAL-INIZCTEOSA-N 1 2 343.427 2.599 50 0 EFAALO CCCOC(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000077322523 472503704 /nfs/dbraw/zinc/50/37/04/472503704.db2.gz JHZBJVUSNDOUHG-HNNXBMFYSA-N 1 2 349.479 2.527 50 0 EFAALO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)no1 ZINC000077379726 472517480 /nfs/dbraw/zinc/51/74/80/472517480.db2.gz FIMNZMDKRFGISI-UHFFFAOYSA-N 1 2 328.416 2.541 50 0 EFAALO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)no1 ZINC000077379726 472517486 /nfs/dbraw/zinc/51/74/86/472517486.db2.gz FIMNZMDKRFGISI-UHFFFAOYSA-N 1 2 328.416 2.541 50 0 EFAALO CCCCOC(=O)N1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000077406675 472522452 /nfs/dbraw/zinc/52/24/52/472522452.db2.gz LDHHBBNPBXTERJ-HNNXBMFYSA-N 1 2 349.479 2.527 50 0 EFAALO COC(=O)c1ccc(N2CCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC000077422339 472524567 /nfs/dbraw/zinc/52/45/67/472524567.db2.gz RADNMBGBQXQKAK-UHFFFAOYSA-N 1 2 340.427 2.515 50 0 EFAALO CCc1c[nH+]c(C)nc1N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077420278 472524901 /nfs/dbraw/zinc/52/49/01/472524901.db2.gz GRFVRVRXAINTQB-FQEVSTJZSA-N 1 2 342.487 2.966 50 0 EFAALO COc1ccc(-n2cccn2)c(C[N@H+](C)Cc2nncn2C(C)C)c1 ZINC000077419814 472525135 /nfs/dbraw/zinc/52/51/35/472525135.db2.gz RUELLUJHGGFIPG-UHFFFAOYSA-N 1 2 340.431 2.685 50 0 EFAALO COc1ccc(-n2cccn2)c(C[N@@H+](C)Cc2nncn2C(C)C)c1 ZINC000077419814 472525139 /nfs/dbraw/zinc/52/51/39/472525139.db2.gz RUELLUJHGGFIPG-UHFFFAOYSA-N 1 2 340.431 2.685 50 0 EFAALO COc1ccc(F)c(F)c1C[N@@H+]1CCC[C@H](C(=O)c2nccn2C)C1 ZINC000077457665 472531644 /nfs/dbraw/zinc/53/16/44/472531644.db2.gz SOCDHSVMFVXKEH-LBPRGKRZSA-N 1 2 349.381 2.802 50 0 EFAALO COc1ccc(F)c(F)c1C[N@H+]1CCC[C@H](C(=O)c2nccn2C)C1 ZINC000077457665 472531648 /nfs/dbraw/zinc/53/16/48/472531648.db2.gz SOCDHSVMFVXKEH-LBPRGKRZSA-N 1 2 349.381 2.802 50 0 EFAALO CCN1CC2(CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)OC1=O ZINC000077505013 472541046 /nfs/dbraw/zinc/54/10/46/472541046.db2.gz FPSJVGZEWCOJGL-UHFFFAOYSA-N 1 2 342.399 2.543 50 0 EFAALO CC(C)[C@@H]1C[N@H+](Cc2c[nH]cn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071404167 472550240 /nfs/dbraw/zinc/55/02/40/472550240.db2.gz ZBXDHWLGWPQRAO-SFHVURJKSA-N 1 2 344.434 2.808 50 0 EFAALO CC(C)[C@@H]1C[N@@H+](Cc2c[nH]cn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071404167 472550245 /nfs/dbraw/zinc/55/02/45/472550245.db2.gz ZBXDHWLGWPQRAO-SFHVURJKSA-N 1 2 344.434 2.808 50 0 EFAALO CC(C)[C@@H]1C[N@H+](Cc2cnc[nH]2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071404167 472550251 /nfs/dbraw/zinc/55/02/51/472550251.db2.gz ZBXDHWLGWPQRAO-SFHVURJKSA-N 1 2 344.434 2.808 50 0 EFAALO CC(C)[C@@H]1C[N@@H+](Cc2cnc[nH]2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071404167 472550252 /nfs/dbraw/zinc/55/02/52/472550252.db2.gz ZBXDHWLGWPQRAO-SFHVURJKSA-N 1 2 344.434 2.808 50 0 EFAALO CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000077535867 472550430 /nfs/dbraw/zinc/55/04/30/472550430.db2.gz VKUXXLFMALZFSD-INIZCTEOSA-N 1 2 340.427 2.550 50 0 EFAALO CC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3cccc(F)c3F)oc2C)C1 ZINC000071661707 472555233 /nfs/dbraw/zinc/55/52/33/472555233.db2.gz QWHJDFWVAMZVSE-LBPRGKRZSA-N 1 2 335.354 2.639 50 0 EFAALO CC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3cccc(F)c3F)oc2C)C1 ZINC000071661707 472555238 /nfs/dbraw/zinc/55/52/38/472555238.db2.gz QWHJDFWVAMZVSE-LBPRGKRZSA-N 1 2 335.354 2.639 50 0 EFAALO Cc1ccsc1-c1nc(C[N@@H+]2C[C@H](O)[C@@H](OC(C)C)C2)c(C)o1 ZINC000071639374 472555279 /nfs/dbraw/zinc/55/52/79/472555279.db2.gz FFFUSIZCNVLNFK-GJZGRUSLSA-N 1 2 336.457 2.990 50 0 EFAALO Cc1ccsc1-c1nc(C[N@H+]2C[C@H](O)[C@@H](OC(C)C)C2)c(C)o1 ZINC000071639374 472555285 /nfs/dbraw/zinc/55/52/85/472555285.db2.gz FFFUSIZCNVLNFK-GJZGRUSLSA-N 1 2 336.457 2.990 50 0 EFAALO COc1cc(-c2[nH+]ccn2[C@H]2CCCCNC2=O)cc(Cl)c1O ZINC000071747356 472558098 /nfs/dbraw/zinc/55/80/98/472558098.db2.gz ZJJNCJOWNIIJTO-LBPRGKRZSA-N 1 2 335.791 2.759 50 0 EFAALO O=c1[nH]c2ccccc2nc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000071757027 472559469 /nfs/dbraw/zinc/55/94/69/472559469.db2.gz QAFKQJRVGFCWMS-SFHVURJKSA-N 1 2 339.370 2.636 50 0 EFAALO O=c1[nH]c2ccccc2nc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000071757027 472559476 /nfs/dbraw/zinc/55/94/76/472559476.db2.gz QAFKQJRVGFCWMS-SFHVURJKSA-N 1 2 339.370 2.636 50 0 EFAALO CNc1ncc(CN(C)c2nccc(-c3ccc(C)[nH+]c3C)n2)cn1 ZINC000071753927 472560153 /nfs/dbraw/zinc/56/01/53/472560153.db2.gz DMUMVHSGIZVCLY-UHFFFAOYSA-N 1 2 335.415 2.624 50 0 EFAALO COc1ccccc1N1CCC([N@@H+]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000071762157 472561020 /nfs/dbraw/zinc/56/10/20/472561020.db2.gz JJOZIRJOHDUTQP-MRXNPFEDSA-N 1 2 344.377 2.927 50 0 EFAALO COc1ccccc1N1CCC([N@H+]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000071762157 472561023 /nfs/dbraw/zinc/56/10/23/472561023.db2.gz JJOZIRJOHDUTQP-MRXNPFEDSA-N 1 2 344.377 2.927 50 0 EFAALO CCc1n[nH]cc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000058505224 472576790 /nfs/dbraw/zinc/57/67/90/472576790.db2.gz DEMPUKXEINOIDX-UHFFFAOYSA-N 1 2 332.835 2.584 50 0 EFAALO CC(C)(C)c1nc(C[N@@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)no1 ZINC000072146427 472631976 /nfs/dbraw/zinc/63/19/76/472631976.db2.gz JVBQVAPWOWCUFF-IBGZPJMESA-N 1 2 340.427 2.853 50 0 EFAALO CC(C)(C)c1nc(C[N@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)no1 ZINC000072146427 472631982 /nfs/dbraw/zinc/63/19/82/472631982.db2.gz JVBQVAPWOWCUFF-IBGZPJMESA-N 1 2 340.427 2.853 50 0 EFAALO Clc1nc(N2CCCC2)sc1CN1CCCn2c[nH+]cc2C1 ZINC000072129730 472632010 /nfs/dbraw/zinc/63/20/10/472632010.db2.gz PJDSCKKKFKLUFI-UHFFFAOYSA-N 1 2 337.880 2.999 50 0 EFAALO CC[NH+](CC)Cc1nnc2sc(COc3ccc(F)cc3)nn12 ZINC000061722165 472716329 /nfs/dbraw/zinc/71/63/29/472716329.db2.gz QNBIHPOFZIBWQG-UHFFFAOYSA-N 1 2 335.408 2.746 50 0 EFAALO C[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 ZINC000061719713 472716489 /nfs/dbraw/zinc/71/64/89/472716489.db2.gz CHQSVMPWCIBDKV-UHFFFAOYSA-N 1 2 346.434 2.927 50 0 EFAALO CCOC(=O)C1CC[NH+](CC(=O)c2c(C)n(C)c3ccccc32)CC1 ZINC000061932200 472724582 /nfs/dbraw/zinc/72/45/82/472724582.db2.gz OHZDBGKZUQZQKR-UHFFFAOYSA-N 1 2 342.439 2.945 50 0 EFAALO C[N@@H+]1CCO[C@@H](CNC(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000105279929 472740758 /nfs/dbraw/zinc/74/07/58/472740758.db2.gz MVZSORIDAYFVDV-IBGZPJMESA-N 1 2 345.487 2.514 50 0 EFAALO C[N@H+]1CCO[C@@H](CNC(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000105279929 472740764 /nfs/dbraw/zinc/74/07/64/472740764.db2.gz MVZSORIDAYFVDV-IBGZPJMESA-N 1 2 345.487 2.514 50 0 EFAALO Cc1cccn2c(CC(=O)N3CCC[C@](CO)(CC4CC4)C3)c[nH+]c12 ZINC000091320358 472756918 /nfs/dbraw/zinc/75/69/18/472756918.db2.gz VHNYJPNOHLWWID-FQEVSTJZSA-N 1 2 341.455 2.586 50 0 EFAALO C[C@@H]1CN(c2cc(Sc3ccc(F)cc3)[nH+]c(N)n2)C[C@]1(C)O ZINC000091620675 472783919 /nfs/dbraw/zinc/78/39/19/472783919.db2.gz DGXFUPRRWFGCTQ-HWPZZCPQSA-N 1 2 334.420 2.556 50 0 EFAALO CN(CCCc1[nH+]ccn1C)C(=O)c1ccc2cccc(F)c2n1 ZINC000091636092 472788892 /nfs/dbraw/zinc/78/88/92/472788892.db2.gz HFBQXZCNKRGNKL-UHFFFAOYSA-N 1 2 326.375 2.812 50 0 EFAALO CCCCn1cc[nH+]c1C1CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC000092022775 472845071 /nfs/dbraw/zinc/84/50/71/472845071.db2.gz PDPVHHZGNKZIID-UHFFFAOYSA-N 1 2 343.475 2.756 50 0 EFAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)N1CCC(C)CC1)OCCO3 ZINC000064795093 472875971 /nfs/dbraw/zinc/87/59/71/472875971.db2.gz XTPJBBYQQFQGMD-UHFFFAOYSA-N 1 2 343.427 2.628 50 0 EFAALO C[N@H+](Cc1nnc2sc(-c3ccncc3)nn12)Cc1ccccc1 ZINC000065364281 472926723 /nfs/dbraw/zinc/92/67/23/472926723.db2.gz LZGYALSPLBHQGV-UHFFFAOYSA-N 1 2 336.424 2.880 50 0 EFAALO C[N@@H+](Cc1nnc2sc(-c3ccncc3)nn12)Cc1ccccc1 ZINC000065364281 472926731 /nfs/dbraw/zinc/92/67/31/472926731.db2.gz LZGYALSPLBHQGV-UHFFFAOYSA-N 1 2 336.424 2.880 50 0 EFAALO COc1cccc(F)c1-c1ccc([C@H](O)C[NH+]2CCOCC2)cc1 ZINC000065409363 472936900 /nfs/dbraw/zinc/93/69/00/472936900.db2.gz DEWXQKNYLXHXMZ-QGZVFWFLSA-N 1 2 331.387 2.867 50 0 EFAALO CC(C)(C)c1ccc2oc(C[NH2+]CC(=O)Nc3cnccn3)nc2c1 ZINC000065433327 472941651 /nfs/dbraw/zinc/94/16/51/472941651.db2.gz ZIJHXUJQCMIZJG-UHFFFAOYSA-N 1 2 339.399 2.644 50 0 EFAALO CCc1c[nH+]c(C)nc1NC1CCN(c2ccc(Cl)nn2)CC1 ZINC000065460113 472946451 /nfs/dbraw/zinc/94/64/51/472946451.db2.gz NSHPTCZQIGGRTL-UHFFFAOYSA-N 1 2 332.839 2.872 50 0 EFAALO COc1ccc(C)cc1[C@H](O)C[N@@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000065466753 472948162 /nfs/dbraw/zinc/94/81/62/472948162.db2.gz MQWLKVCONTZVPH-WBVHZDCISA-N 1 2 348.468 2.875 50 0 EFAALO COc1ccc(C)cc1[C@H](O)C[N@H+]1CCO[C@H](c2nc(C)cs2)C1 ZINC000065466753 472948171 /nfs/dbraw/zinc/94/81/71/472948171.db2.gz MQWLKVCONTZVPH-WBVHZDCISA-N 1 2 348.468 2.875 50 0 EFAALO CC[C@@H](CO)N(Cc1ccco1)C(=O)Cc1c[nH+]c2c(C)cccn12 ZINC000065493071 472955943 /nfs/dbraw/zinc/95/59/43/472955943.db2.gz SNZFQBBRPAQYMQ-HNNXBMFYSA-N 1 2 341.411 2.578 50 0 EFAALO CN1CC[NH+](Cc2ccc(-c3ccc(-c4cc[nH]n4)cc3)nc2)CC1 ZINC000065507860 472959638 /nfs/dbraw/zinc/95/96/38/472959638.db2.gz RFVNGISOJSUBKN-UHFFFAOYSA-N 1 2 333.439 2.886 50 0 EFAALO Cc1ccc2[nH+]c3c(n2c1)[C@H](c1cnc(C(C)(C)C)nc1)CC(=O)NC3 ZINC000065535374 472970180 /nfs/dbraw/zinc/97/01/80/472970180.db2.gz ZIIOEKMZPHHTSD-AWEZNQCLSA-N 1 2 349.438 2.882 50 0 EFAALO C[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1cccnc1 ZINC000135201052 473034748 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ZINC000055340990 214308631 /nfs/dbraw/zinc/30/86/31/214308631.db2.gz CVYRTDOEESFPEW-UHFFFAOYSA-N 1 2 337.851 2.775 50 0 EFAALO CCOc1cccc(C[N@@H+](CCO)Cc2c(C)nn(C)c2Cl)c1 ZINC000055340990 214308635 /nfs/dbraw/zinc/30/86/35/214308635.db2.gz CVYRTDOEESFPEW-UHFFFAOYSA-N 1 2 337.851 2.775 50 0 EFAALO CCCOc1cc(Cl)c(C[N@@H+]2CCC[C@H]2C(N)=O)cc1OCC ZINC000055361012 214311945 /nfs/dbraw/zinc/31/19/45/214311945.db2.gz ASXOAMXYBQYUDM-AWEZNQCLSA-N 1 2 340.851 2.977 50 0 EFAALO CCCOc1cc(Cl)c(C[N@H+]2CCC[C@H]2C(N)=O)cc1OCC ZINC000055361012 214311946 /nfs/dbraw/zinc/31/19/46/214311946.db2.gz ASXOAMXYBQYUDM-AWEZNQCLSA-N 1 2 340.851 2.977 50 0 EFAALO CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N(C)Cc1cc[nH]n1 ZINC000055403055 214320317 /nfs/dbraw/zinc/32/03/17/214320317.db2.gz GBJLRCHUENHRSQ-CYBMUJFWSA-N 1 2 325.416 2.932 50 0 EFAALO Cc1ccn2cc(CNC(=O)[C@@H]3CCOc4ccccc4C3)[nH+]c2c1 ZINC000097784718 219056430 /nfs/dbraw/zinc/05/64/30/219056430.db2.gz FOJYIFWKCBKXRP-MRXNPFEDSA-N 1 2 335.407 2.900 50 0 EFAALO 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328.387 2.792 50 0 EFAALO COc1ccccc1C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000019774044 212064286 /nfs/dbraw/zinc/06/42/86/212064286.db2.gz QXUDSVVJSOGRTK-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO COc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019691343 212056122 /nfs/dbraw/zinc/05/61/22/212056122.db2.gz DSLGAJMFXNXJAZ-UHFFFAOYSA-N 1 2 326.396 2.780 50 0 EFAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 ZINC000019555340 212040556 /nfs/dbraw/zinc/04/05/56/212040556.db2.gz DARBVERIBHVAMJ-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 EFAALO Cn1cc(CN(C(=O)c2cccc(-c3[nH+]ccn3C)c2)C2CC2)cn1 ZINC000426389510 247274416 /nfs/dbraw/zinc/27/44/16/247274416.db2.gz UMJBGRJPIIWWBG-UHFFFAOYSA-N 1 2 335.411 2.625 50 0 EFAALO Cc1nc(N(C)Cc2noc(C3CCCC3)n2)cc([C@H]2CCOC2)[nH+]1 ZINC000426399048 247276614 /nfs/dbraw/zinc/27/66/14/247276614.db2.gz OJSVZTVRMWXZJA-AWEZNQCLSA-N 1 2 343.431 2.966 50 0 EFAALO Cc1nc(N2CCC(Oc3cccnc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426489360 247287728 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C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(-c2ccco2)on1 ZINC000095354880 218288122 /nfs/dbraw/zinc/28/81/22/218288122.db2.gz MEYISSMVHQDQTE-MRXNPFEDSA-N 1 2 337.379 2.608 50 0 EFAALO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(-c2ccco2)on1 ZINC000095354880 218288124 /nfs/dbraw/zinc/28/81/24/218288124.db2.gz MEYISSMVHQDQTE-MRXNPFEDSA-N 1 2 337.379 2.608 50 0 EFAALO Cc1c(Cl)cc(C(=O)N(CCO)Cc2[nH+]ccn2C)cc1Cl ZINC000095358302 218291248 /nfs/dbraw/zinc/29/12/48/218291248.db2.gz ACODIILOPGDROU-UHFFFAOYSA-N 1 2 342.226 2.670 50 0 EFAALO CNc1nc(C[C@@H]2COc3cc(OC)ccc3C2)[nH+]c2c1CCC2 ZINC000095366531 218299635 /nfs/dbraw/zinc/29/96/35/218299635.db2.gz ZLPHTPSCBZCIOF-GFCCVEGCSA-N 1 2 325.412 2.809 50 0 EFAALO COc1ccc2c(ccn(Cc3c[nH+]cn3C3CC3)c2=O)c1OC ZINC000095361839 218294311 /nfs/dbraw/zinc/29/43/11/218294311.db2.gz HKCIMRVQVDWYAJ-UHFFFAOYSA-N 1 2 325.368 2.598 50 0 EFAALO Cc1nn(C)cc1C(=O)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095363596 218297431 /nfs/dbraw/zinc/29/74/31/218297431.db2.gz 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219012225 /nfs/dbraw/zinc/01/22/25/219012225.db2.gz PNMYLYNHJQXYKD-CQSZACIVSA-N 1 2 341.436 2.515 50 0 EFAALO COc1ccccc1-n1cc(CN(Cc2[nH+]ccn2C)C2CC2)cn1 ZINC000097347112 219013347 /nfs/dbraw/zinc/01/33/47/219013347.db2.gz PQNRBMUKNUOINI-UHFFFAOYSA-N 1 2 337.427 2.779 50 0 EFAALO COC[C@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097272493 219008237 /nfs/dbraw/zinc/00/82/37/219008237.db2.gz BLRDLIPGPWPNDS-QGZVFWFLSA-N 1 2 336.395 2.931 50 0 EFAALO CCc1nc2ccc(NC(=O)N(C)CCn3cc[nH+]c3C)cc2[nH]1 ZINC000097360151 219015137 /nfs/dbraw/zinc/01/51/37/219015137.db2.gz TZBGAWSBTISPCI-UHFFFAOYSA-N 1 2 326.404 2.794 50 0 EFAALO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+](C)Cc2nnc(C)o2)n1 ZINC000097551239 219034698 /nfs/dbraw/zinc/03/46/98/219034698.db2.gz XLPGEWPBSJMIJG-UHFFFAOYSA-N 1 2 329.379 2.952 50 0 EFAALO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+](C)Cc2nnc(C)o2)n1 ZINC000097551239 219034702 /nfs/dbraw/zinc/03/47/02/219034702.db2.gz XLPGEWPBSJMIJG-UHFFFAOYSA-N 1 2 329.379 2.952 50 0 EFAALO COC[C@H](c1ccccn1)N(C)C(=O)CCc1cn2ccccc2[nH+]1 ZINC000097475134 219028204 /nfs/dbraw/zinc/02/82/04/219028204.db2.gz XWZACDAEVHAWON-QGZVFWFLSA-N 1 2 338.411 2.508 50 0 EFAALO CS(=O)(=O)Cc1ccc(NC[C@H]2CCOc3ccccc3C2)[nH+]c1 ZINC000097499654 219030379 /nfs/dbraw/zinc/03/03/79/219030379.db2.gz XWGXOTITSSEKMX-AWEZNQCLSA-N 1 2 346.452 2.680 50 0 EFAALO O=C(c1cnc(C2CC2)nc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097514913 219032591 /nfs/dbraw/zinc/03/25/91/219032591.db2.gz GYHHNPCCISAIOX-QPJJXVBHSA-N 1 2 348.450 2.825 50 0 EFAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000097568997 219035215 /nfs/dbraw/zinc/03/52/15/219035215.db2.gz PMODTELNBHMPBY-HNNXBMFYSA-N 1 2 335.411 2.626 50 0 EFAALO CCOCC[NH+]1CCN(C(=O)c2ccc3cccc(Cl)c3n2)CC1 ZINC000097569040 219035363 /nfs/dbraw/zinc/03/53/63/219035363.db2.gz PKUJGWJOGBZZTE-UHFFFAOYSA-N 1 2 347.846 2.683 50 0 EFAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000097568996 219035384 /nfs/dbraw/zinc/03/53/84/219035384.db2.gz PMODTELNBHMPBY-OAHLLOKOSA-N 1 2 335.411 2.626 50 0 EFAALO C[C@@H](C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1)n1cc[nH+]c1 ZINC000097570930 219036196 /nfs/dbraw/zinc/03/61/96/219036196.db2.gz SXBQLVNFGQYHBO-LBPRGKRZSA-N 1 2 339.374 2.558 50 0 EFAALO C[C@@H](C(=O)N1CCc2nc(-c3cccc(F)c3)[nH]c2C1)n1cc[nH+]c1 ZINC000097570930 219036199 /nfs/dbraw/zinc/03/61/99/219036199.db2.gz SXBQLVNFGQYHBO-LBPRGKRZSA-N 1 2 339.374 2.558 50 0 EFAALO COc1cc2c(cc1CNC(=O)Cc1c(C)[nH+]c3ccccn31)CCC2 ZINC000097574893 219036782 /nfs/dbraw/zinc/03/67/82/219036782.db2.gz AWKDHJKZRFGPKH-UHFFFAOYSA-N 1 2 349.434 2.999 50 0 EFAALO Cc1ccc(-c2cn(CC(=O)c3ccc4c(c3)OCO4)c(=[NH2+])n2C)cc1 ZINC000334157616 258004828 /nfs/dbraw/zinc/00/48/28/258004828.db2.gz TUPMPJDJBACNRE-UHFFFAOYSA-N 1 2 349.390 2.893 50 0 EFAALO Cc1[nH+]ccn1[C@@H](C)CC(=O)N(C)Cc1n[nH]c2c1CCCCC2 ZINC000299780125 258089399 /nfs/dbraw/zinc/08/93/99/258089399.db2.gz ACUZWWRGEBKFDZ-ZDUSSCGKSA-N 1 2 329.448 2.793 50 0 EFAALO Cc1cccn2cc(CNC(=O)[C@H]3CC(=O)OC34CCCCC4)[nH+]c12 ZINC000299793047 258098220 /nfs/dbraw/zinc/09/82/20/258098220.db2.gz IDCYPGLWCBHUBJ-OAHLLOKOSA-N 1 2 341.411 2.525 50 0 EFAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc(C)c(C)c1)C2 ZINC000299794082 258099260 /nfs/dbraw/zinc/09/92/60/258099260.db2.gz JNJSJBWTFPLBNN-UHFFFAOYSA-N 1 2 326.444 2.542 50 0 EFAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1ccc(C)c(C)c1)C2 ZINC000299794082 258099261 /nfs/dbraw/zinc/09/92/61/258099261.db2.gz JNJSJBWTFPLBNN-UHFFFAOYSA-N 1 2 326.444 2.542 50 0 EFAALO CC[C@@H](C(=O)NC1(c2ccc(Cl)cc2)CCC1)[NH+]1CCOCC1 ZINC000299798074 258101539 /nfs/dbraw/zinc/10/15/39/258101539.db2.gz USEUVPDDUYJIBL-INIZCTEOSA-N 1 2 336.863 2.946 50 0 EFAALO Cc1nn(C)cc1NC(=O)NCCCc1[nH]c2ccc(C)c(C)c2[nH+]1 ZINC000299800445 258103421 /nfs/dbraw/zinc/10/34/21/258103421.db2.gz VSTWJRPPQMXMMK-UHFFFAOYSA-N 1 2 340.431 2.976 50 0 EFAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1cc(C)ccc1C)C2 ZINC000299799903 258103615 /nfs/dbraw/zinc/10/36/15/258103615.db2.gz VGKZPLGTAMVZLG-UHFFFAOYSA-N 1 2 326.444 2.542 50 0 EFAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1cc(C)ccc1C)C2 ZINC000299799903 258103616 /nfs/dbraw/zinc/10/36/16/258103616.db2.gz VGKZPLGTAMVZLG-UHFFFAOYSA-N 1 2 326.444 2.542 50 0 EFAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)NC1CCCCCC1 ZINC000054530388 132191427 /nfs/dbraw/zinc/19/14/27/132191427.db2.gz RISBKXGVQGLMGJ-UHFFFAOYSA-N 1 2 333.451 2.787 50 0 EFAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000055060390 132193398 /nfs/dbraw/zinc/19/33/98/132193398.db2.gz IQNXRAJEXIHGCI-UHFFFAOYSA-N 1 2 347.846 2.680 50 0 EFAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1N=CC[C@@H]1c1ccccc1 ZINC000035840511 132391206 /nfs/dbraw/zinc/39/12/06/132391206.db2.gz VHEIMYWBEICIIK-HXUWFJFHSA-N 1 2 348.450 2.768 50 0 EFAALO COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CC[N@H+]1C ZINC000000898659 286257318 /nfs/dbraw/zinc/25/73/18/286257318.db2.gz LINHZVMHXABQLB-ZDUSSCGKSA-N 1 2 327.380 2.867 50 0 biogenic,in-vitro EFAALO COc1cc2c(cc1O)C[C@H]1c3c(cc(OC)c(O)c3-2)CC[N@@H+]1C ZINC000000898659 286257319 /nfs/dbraw/zinc/25/73/19/286257319.db2.gz LINHZVMHXABQLB-ZDUSSCGKSA-N 1 2 327.380 2.867 50 0 biogenic,in-vitro EFAALO CC[C@@H]1CCCC[N@@H+]1Cc1cnc(S(C)(=O)=O)n1CC(C)C ZINC000012302361 287014245 /nfs/dbraw/zinc/01/42/45/287014245.db2.gz NGCFBVRWBZXTBX-CQSZACIVSA-N 1 2 327.494 2.707 50 0 EFAALO CC[C@@H]1CCCC[N@H+]1Cc1cnc(S(C)(=O)=O)n1CC(C)C ZINC000012302361 287014249 /nfs/dbraw/zinc/01/42/49/287014249.db2.gz NGCFBVRWBZXTBX-CQSZACIVSA-N 1 2 327.494 2.707 50 0 EFAALO CC(C)(C)c1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccncc2)[nH]n1 ZINC000067909266 275534692 /nfs/dbraw/zinc/53/46/92/275534692.db2.gz DECGQHIDFROLQD-SFHVURJKSA-N 1 2 336.443 2.973 50 0 EFAALO C[N@@H+]1CCc2c(sc3ncn4nc(-c5ccc(O)cc5)nc4c23)C1 ZINC000020566016 277187192 /nfs/dbraw/zinc/18/71/92/277187192.db2.gz VVYSKIMXXUINMT-UHFFFAOYSA-N 1 2 337.408 2.700 50 0 EFAALO C[N@H+]1CCc2c(sc3ncn4nc(-c5ccc(O)cc5)nc4c23)C1 ZINC000020566016 277187193 /nfs/dbraw/zinc/18/71/93/277187193.db2.gz VVYSKIMXXUINMT-UHFFFAOYSA-N 1 2 337.408 2.700 50 0 EFAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3-c2ccc(F)cc2)C[C@@H](C)O1 ZINC000004354578 277923574 /nfs/dbraw/zinc/92/35/74/277923574.db2.gz JFMWSKAGSMRHTQ-VXGBXAGGSA-N 1 2 327.363 2.568 50 0 EFAALO CSc1nnc2c3c4c(sc3nc(SC)n12)C[N@H+](C)CC4 ZINC000020463818 278181529 /nfs/dbraw/zinc/18/15/29/278181529.db2.gz UOSJPCYRSRFVFB-UHFFFAOYSA-N 1 2 337.499 2.771 50 0 EFAALO CSc1nnc2c3c4c(sc3nc(SC)n12)C[N@@H+](C)CC4 ZINC000020463818 278181531 /nfs/dbraw/zinc/18/15/31/278181531.db2.gz UOSJPCYRSRFVFB-UHFFFAOYSA-N 1 2 337.499 2.771 50 0 EFAALO CC[C@H]1CCCC[N@@H+]1Cc1cnc(S(C)(=O)=O)n1CC(C)C ZINC000012302363 288197939 /nfs/dbraw/zinc/19/79/39/288197939.db2.gz NGCFBVRWBZXTBX-AWEZNQCLSA-N 1 2 327.494 2.707 50 0 EFAALO CC[C@H]1CCCC[N@H+]1Cc1cnc(S(C)(=O)=O)n1CC(C)C ZINC000012302363 288197944 /nfs/dbraw/zinc/19/79/44/288197944.db2.gz NGCFBVRWBZXTBX-AWEZNQCLSA-N 1 2 327.494 2.707 50 0 EFAALO COCc1ncc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccc(C)cc2)cn1 ZINC000067514787 293340510 /nfs/dbraw/zinc/34/05/10/293340510.db2.gz QRAPUSCWSNBFKN-HXUWFJFHSA-N 1 2 349.438 2.802 50 0 EFAALO C[C@@H]1C[N@H+](C)C[C@H](c2nc(-c3cccc(Br)c3)no2)O1 ZINC000527543940 316394559 /nfs/dbraw/zinc/39/45/59/316394559.db2.gz UHWSKSCXYPZWMP-BXKDBHETSA-N 1 2 338.205 2.891 50 0 EFAALO C[C@@H]1C[N@@H+](C)C[C@H](c2nc(-c3cccc(Br)c3)no2)O1 ZINC000527543940 316394563 /nfs/dbraw/zinc/39/45/63/316394563.db2.gz UHWSKSCXYPZWMP-BXKDBHETSA-N 1 2 338.205 2.891 50 0 EFAALO O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Nc1cccc[nH+]1 ZINC000041105042 472043967 /nfs/dbraw/zinc/04/39/67/472043967.db2.gz NQSAMHHUGDDLSN-AWEZNQCLSA-N 1 2 326.400 2.536 50 0 EFAALO O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Nc1cccc[nH+]1 ZINC000041105041 472044334 /nfs/dbraw/zinc/04/43/34/472044334.db2.gz NQSAMHHUGDDLSN-CQSZACIVSA-N 1 2 326.400 2.536 50 0 EFAALO Cc1cnn([C@H](C)C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)c1 ZINC000095497630 473213333 /nfs/dbraw/zinc/21/33/33/473213333.db2.gz DNTRWLSBOYJLDJ-OAHLLOKOSA-N 1 2 329.448 2.936 50 0 EFAALO O=C(c1ccccn1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095502647 473214232 /nfs/dbraw/zinc/21/42/32/473214232.db2.gz LSQJOVIVHKKGFV-UHFFFAOYSA-N 1 2 347.422 2.741 50 0 EFAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)c2ccco2)C1 ZINC000095501637 473214743 /nfs/dbraw/zinc/21/47/43/473214743.db2.gz JTIVAJOYWZDNEO-AWEZNQCLSA-N 1 2 329.400 2.865 50 0 EFAALO CCc1[nH+]c(C)ccc1OCC(=O)NC[C@@H]1COc2ccccc2C1 ZINC000095506198 473215370 /nfs/dbraw/zinc/21/53/70/473215370.db2.gz GPMUNBWYQJVOTA-OAHLLOKOSA-N 1 2 340.423 2.699 50 0 EFAALO O=C(c1cccnc1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095510280 473217292 /nfs/dbraw/zinc/21/72/92/473217292.db2.gz PEOOALWMNNQULA-SFHVURJKSA-N 1 2 347.422 2.741 50 0 EFAALO COc1cccc(SCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000095516803 473217890 /nfs/dbraw/zinc/21/78/90/473217890.db2.gz JCOQKXCNFWZSGQ-UHFFFAOYSA-N 1 2 331.441 2.917 50 0 EFAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cn2nc(C)cc2C)C1 ZINC000095518082 473218316 /nfs/dbraw/zinc/21/83/16/473218316.db2.gz RVTKZXKXEHRRDT-QGZVFWFLSA-N 1 2 343.475 2.903 50 0 EFAALO COc1cc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)nc(N)[nH+]1 ZINC000095526554 473220854 /nfs/dbraw/zinc/22/08/54/473220854.db2.gz MGXUOIJBFRDMFK-UHFFFAOYSA-N 1 2 329.791 2.765 50 0 EFAALO COc1cc(N2CCc3[nH]c4ccc(Cl)cc4c3C2)[nH+]c(N)n1 ZINC000095526554 473220858 /nfs/dbraw/zinc/22/08/58/473220858.db2.gz MGXUOIJBFRDMFK-UHFFFAOYSA-N 1 2 329.791 2.765 50 0 EFAALO Cc1cn2cc(C(=O)NC[C@@H]3CCCN(c4cccc[nH+]4)C3)ccc2n1 ZINC000082086545 473286262 /nfs/dbraw/zinc/28/62/62/473286262.db2.gz MZXISFODMGSXBV-INIZCTEOSA-N 1 2 349.438 2.684 50 0 EFAALO Cc1cn2cc(C(=O)N[C@H](C)c3nc(-c4ccncc4)no3)ccc2[nH+]1 ZINC000082097113 473288200 /nfs/dbraw/zinc/28/82/00/473288200.db2.gz CDYYAPQIQILORO-GFCCVEGCSA-N 1 2 348.366 2.579 50 0 EFAALO O=C(c1cnccn1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082106707 473289116 /nfs/dbraw/zinc/28/91/16/473289116.db2.gz UKCKFVJYVVLQBK-QGZVFWFLSA-N 1 2 347.422 2.741 50 0 EFAALO Cc1cn2cc(C(=O)NCc3nc(C)cc(C(F)(F)F)n3)ccc2[nH+]1 ZINC000082087179 473285437 /nfs/dbraw/zinc/28/54/37/473285437.db2.gz QSYFZKQFEMUYNT-UHFFFAOYSA-N 1 2 349.316 2.690 50 0 EFAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 ZINC000082120601 473292463 /nfs/dbraw/zinc/29/24/63/473292463.db2.gz XNKWYSPFJXXEDF-CYBMUJFWSA-N 1 2 337.379 2.546 50 0 EFAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1Cc2ccccc2[C@@H](O)C1 ZINC000082127343 473293652 /nfs/dbraw/zinc/29/36/52/473293652.db2.gz JAUWQTCDAUQONO-IBGZPJMESA-N 1 2 335.407 2.811 50 0 EFAALO CCCc1n[nH]cc1C(=O)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082161283 473297033 /nfs/dbraw/zinc/29/70/33/473297033.db2.gz CSUJDVPVGAGXBM-HNNXBMFYSA-N 1 2 341.459 2.989 50 0 EFAALO Cc1ncsc1CCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000082162166 473297472 /nfs/dbraw/zinc/29/74/72/473297472.db2.gz KNUDABADGSCHGO-UHFFFAOYSA-N 1 2 335.498 2.790 50 0 EFAALO O=C(c1ncc(F)cc1F)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082166996 473297805 /nfs/dbraw/zinc/29/78/05/473297805.db2.gz IWRBWXYYBADGTR-ZDUSSCGKSA-N 1 2 346.381 2.986 50 0 EFAALO O=C(c1ccc2cc[nH]c2c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000096118361 473307394 /nfs/dbraw/zinc/30/73/94/473307394.db2.gz KGJLMGIAVUPUIO-UHFFFAOYSA-N 1 2 334.423 2.563 50 0 EFAALO CCCNC(=O)c1ccc(NC(=O)NCCc2c[nH+]c[nH]2)cc1Cl ZINC000096133730 473309836 /nfs/dbraw/zinc/30/98/36/473309836.db2.gz BOHIQRXZRCWLKW-UHFFFAOYSA-N 1 2 349.822 2.567 50 0 EFAALO CCCNC(=O)c1ccc(NC(=O)NCCc2c[nH]c[nH+]2)cc1Cl ZINC000096133730 473309845 /nfs/dbraw/zinc/30/98/45/473309845.db2.gz BOHIQRXZRCWLKW-UHFFFAOYSA-N 1 2 349.822 2.567 50 0 EFAALO C[C@@H]1CCC(=O)N1c1cccc(NC(=O)NCCCc2[nH]cc[nH+]2)c1 ZINC000096130541 473309220 /nfs/dbraw/zinc/30/92/20/473309220.db2.gz KUQHXTUGYQCZQL-CYBMUJFWSA-N 1 2 341.415 2.679 50 0 EFAALO Cc1c2[nH+]c[nH]c2cc(NC(=O)NCC2(Cn3cccn3)CC2)c1C ZINC000096137152 473311888 /nfs/dbraw/zinc/31/18/88/473311888.db2.gz FZJGBSNBVITNSB-UHFFFAOYSA-N 1 2 338.415 2.978 50 0 EFAALO Cc1c2[nH]c[nH+]c2cc(NC(=O)NCC2(Cn3cccn3)CC2)c1C ZINC000096137152 473311891 /nfs/dbraw/zinc/31/18/91/473311891.db2.gz FZJGBSNBVITNSB-UHFFFAOYSA-N 1 2 338.415 2.978 50 0 EFAALO CC(C)c1nc([C@@H]2NCCc3[nH+]c[nH]c32)n(CCc2ccccc2)n1 ZINC000096140047 473313409 /nfs/dbraw/zinc/31/34/09/473313409.db2.gz VRVURFKXJPTZAM-QGZVFWFLSA-N 1 2 336.443 2.602 50 0 EFAALO CC[C@@H](NC(=O)Nc1ccc(OC)c(NC(C)=O)c1)c1[nH]cc(C)[nH+]1 ZINC000096141550 473313488 /nfs/dbraw/zinc/31/34/88/473313488.db2.gz BAQNEOLRONCXCS-CYBMUJFWSA-N 1 2 345.403 2.958 50 0 EFAALO Cc1cc(C)c(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c(C)c1 ZINC000000197642 471333040 /nfs/dbraw/zinc/33/30/40/471333040.db2.gz IQGXQMVMNRNQLK-UHFFFAOYSA-N 1 2 338.455 2.768 50 0 EFAALO CC(C)c1ccc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000000279395 471342719 /nfs/dbraw/zinc/34/27/19/471342719.db2.gz IEBOPGRFOMBOFI-UHFFFAOYSA-N 1 2 339.439 2.933 50 0 EFAALO CCCNc1nc(Nc2ccc(C)cc2)nc(N2CCOCC2)[nH+]1 ZINC000002847070 471425164 /nfs/dbraw/zinc/42/51/64/471425164.db2.gz JMWHPPNUCXEJCB-UHFFFAOYSA-N 1 2 328.420 2.582 50 0 EFAALO COc1ccc(-n2c(C)c(C)c3c2nc[nH+]c3NCCCO)cc1 ZINC000005205339 471491703 /nfs/dbraw/zinc/49/17/03/471491703.db2.gz WXEHJFWZASKHKB-UHFFFAOYSA-N 1 2 326.400 2.840 50 0 EFAALO Cc1[nH+]c2ccccc2n1Cc1nnc2sc(-c3ccccn3)nn12 ZINC000007464962 471615827 /nfs/dbraw/zinc/61/58/27/471615827.db2.gz VWDLJSOXCXPLFI-UHFFFAOYSA-N 1 2 347.407 2.954 50 0 EFAALO C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012380491 471773031 /nfs/dbraw/zinc/77/30/31/471773031.db2.gz PTUNWFFYRXJMLY-AWEZNQCLSA-N 1 2 345.830 2.851 50 0 EFAALO COc1ccc(C=O)cc1C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000012371766 471773511 /nfs/dbraw/zinc/77/35/11/471773511.db2.gz SVRZZHLCFMZFCD-UHFFFAOYSA-N 1 2 340.423 2.839 50 0 EFAALO CC(C)c1ccccc1OCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012383131 471773893 /nfs/dbraw/zinc/77/38/93/471773893.db2.gz QAHDYCNCOGTCSQ-UHFFFAOYSA-N 1 2 339.439 2.933 50 0 EFAALO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000012407270 471775245 /nfs/dbraw/zinc/77/52/45/471775245.db2.gz SFHPVTQOVKPGLG-UHFFFAOYSA-N 1 2 334.423 2.876 50 0 EFAALO CCOc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000013324355 471826220 /nfs/dbraw/zinc/82/62/20/471826220.db2.gz GKCKKNXUCWQQNK-UHFFFAOYSA-N 1 2 340.427 2.830 50 0 EFAALO CCc1c(O)nc(SCC[NH+](CC)CC)n(-c2ccccc2)c1=O ZINC000013382307 471827789 /nfs/dbraw/zinc/82/77/89/471827789.db2.gz ZJGPXOYLRPOMHV-UHFFFAOYSA-N 1 2 347.484 2.934 50 0 EFAALO Cc1scc(C(=O)NCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000013744437 471843274 /nfs/dbraw/zinc/84/32/74/471843274.db2.gz MRMZCCPIPZHNGR-UHFFFAOYSA-N 1 2 330.453 2.786 50 0 EFAALO Cc1[nH+]c2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc2n1C ZINC000016276183 471929420 /nfs/dbraw/zinc/92/94/20/471929420.db2.gz DZYRPUJVOFMNGW-UHFFFAOYSA-N 1 2 338.367 2.932 50 0 EFAALO Cc1ccc(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016579662 471941348 /nfs/dbraw/zinc/94/13/48/471941348.db2.gz WFAAGYLHFUCKLK-UHFFFAOYSA-N 1 2 344.480 2.643 50 0 EFAALO CC[NH+]1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1 ZINC000016577776 471941798 /nfs/dbraw/zinc/94/17/98/471941798.db2.gz KIJGCBRNGHIFIT-UHFFFAOYSA-N 1 2 337.272 2.628 50 0 EFAALO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000016603312 471943778 /nfs/dbraw/zinc/94/37/78/471943778.db2.gz ABMFSHLRRBGZPB-MRXNPFEDSA-N 1 2 328.412 2.700 50 0 EFAALO Cc1cc(OCC(=O)N2CC[NH+](Cc3ccco3)CC2)ccc1Cl ZINC000016603292 471943899 /nfs/dbraw/zinc/94/38/99/471943899.db2.gz LLGANQQXTFTADJ-UHFFFAOYSA-N 1 2 348.830 2.965 50 0 EFAALO COc1cccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000018251228 471974411 /nfs/dbraw/zinc/97/44/11/471974411.db2.gz BDZRGNXDZGNKAI-UHFFFAOYSA-N 1 2 328.441 2.609 50 0 EFAALO Fc1ccc2nc([C@@H]3CCCC[N@@H+]3CCCn3cncn3)[nH]c2c1 ZINC000019730656 471984358 /nfs/dbraw/zinc/98/43/58/471984358.db2.gz FFBSSJOWURDTIE-INIZCTEOSA-N 1 2 328.395 2.911 50 0 EFAALO Fc1ccc2nc([C@@H]3CCCC[N@H+]3CCCn3cncn3)[nH]c2c1 ZINC000019730656 471984361 /nfs/dbraw/zinc/98/43/61/471984361.db2.gz FFBSSJOWURDTIE-INIZCTEOSA-N 1 2 328.395 2.911 50 0 EFAALO C[N@@H+]1CCc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1 ZINC000020406596 471989889 /nfs/dbraw/zinc/98/98/89/471989889.db2.gz NDFHQKZWHBNNLB-UHFFFAOYSA-N 1 2 344.465 2.694 50 0 EFAALO C[N@H+]1CCc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1 ZINC000020406596 471989893 /nfs/dbraw/zinc/98/98/93/471989893.db2.gz NDFHQKZWHBNNLB-UHFFFAOYSA-N 1 2 344.465 2.694 50 0 EFAALO CC[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2c(O)[nH]c(=S)[nH]c2=O)[NH2+]1 ZINC000020759745 471992107 /nfs/dbraw/zinc/99/21/07/471992107.db2.gz TYSKKCPATHSIQF-CLAHSXSESA-N 1 2 342.424 2.633 50 0 biogenic EFAALO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc2c1OCO2 ZINC000023115130 472026168 /nfs/dbraw/zinc/02/61/68/472026168.db2.gz HWUXCOBBULWXKB-UHFFFAOYSA-N 1 2 344.386 2.885 50 0 EFAALO Cc1cnc(C(=O)NCc2ccc[nH+]c2N(C)Cc2ccccc2)cn1 ZINC000067642121 472064236 /nfs/dbraw/zinc/06/42/36/472064236.db2.gz ZZMHXDZGVCKLAY-UHFFFAOYSA-N 1 2 347.422 2.746 50 0 EFAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)NCc2ccc(C)cc2)CC1 ZINC000042115561 472114512 /nfs/dbraw/zinc/11/45/12/472114512.db2.gz PFPJPVXFEUZVGD-UHFFFAOYSA-N 1 2 342.443 2.627 50 0 EFAALO COc1ccc(Cl)c2sc(NCC[NH+]3CCOCC3)nc21 ZINC000026424134 472135546 /nfs/dbraw/zinc/13/55/46/472135546.db2.gz QUBJEKOZRWDPEJ-UHFFFAOYSA-N 1 2 327.837 2.702 50 0 EFAALO CCOC(=O)CCCCC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000043210877 472210903 /nfs/dbraw/zinc/21/09/03/472210903.db2.gz BKOSUBQDWYUBAF-UHFFFAOYSA-N 1 2 333.428 2.825 50 0 EFAALO Cc1[nH+]ccn1-c1ncc(NC(=O)Cc2c[nH]c3ccccc23)cn1 ZINC000085470436 472252234 /nfs/dbraw/zinc/25/22/34/472252234.db2.gz UMHNKYIRBPKHHE-UHFFFAOYSA-N 1 2 332.367 2.633 50 0 EFAALO CCOC(=O)C1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000057050728 472378954 /nfs/dbraw/zinc/37/89/54/472378954.db2.gz STJYTQOBZOZDMJ-UHFFFAOYSA-N 1 2 328.412 2.934 50 0 EFAALO COc1c2c(c(NC(=O)c3ccccc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032124045 472416325 /nfs/dbraw/zinc/41/63/25/472416325.db2.gz NKKIAJKOQULBEJ-UHFFFAOYSA-N 1 2 340.379 2.664 50 0 biogenic EFAALO COc1c2c(c(NC(=O)c3ccccc3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032124045 472416333 /nfs/dbraw/zinc/41/63/33/472416333.db2.gz NKKIAJKOQULBEJ-UHFFFAOYSA-N 1 2 340.379 2.664 50 0 biogenic EFAALO Fc1cccc(-n2cc(C[N@@H+]3CCO[C@@H](c4cccnc4)C3)cn2)c1 ZINC000097088117 472442457 /nfs/dbraw/zinc/44/24/57/472442457.db2.gz ORPVEBDRTBQTOT-LJQANCHMSA-N 1 2 338.386 2.980 50 0 EFAALO Fc1cccc(-n2cc(C[N@H+]3CCO[C@@H](c4cccnc4)C3)cn2)c1 ZINC000097088117 472442461 /nfs/dbraw/zinc/44/24/61/472442461.db2.gz ORPVEBDRTBQTOT-LJQANCHMSA-N 1 2 338.386 2.980 50 0 EFAALO CCCCSc1ncc(C[NH+]2CCC(c3nc[nH]n3)CC2)cn1 ZINC000097117608 472457342 /nfs/dbraw/zinc/45/73/42/472457342.db2.gz BEDLSIMYJIKZPY-UHFFFAOYSA-N 1 2 332.477 2.867 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1csc(-c3ccco3)n1)C2 ZINC000097198289 472473500 /nfs/dbraw/zinc/47/35/00/472473500.db2.gz WIIPIRIRTJKTOI-NSHDSACASA-N 1 2 328.397 2.653 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CCOc1ccc(C)c(C)c1)C2 ZINC000097198296 472475017 /nfs/dbraw/zinc/47/50/17/472475017.db2.gz UDDCEBOMTGPFEV-INIZCTEOSA-N 1 2 327.428 2.708 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1(c3ccc(F)cc3)CCC1)C2 ZINC000097199233 472475031 /nfs/dbraw/zinc/47/50/31/472475031.db2.gz KSPYZYMUPDTHKK-INIZCTEOSA-N 1 2 327.403 2.884 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(C3CC3)n(C(C)(C)C)n1)C2 ZINC000097199092 472475458 /nfs/dbraw/zinc/47/54/58/472475458.db2.gz LVCXXCVQCTYFJW-CQSZACIVSA-N 1 2 341.459 2.765 50 0 EFAALO O=C(Cc1ccsc1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000077299699 472497609 /nfs/dbraw/zinc/49/76/09/472497609.db2.gz HEBWDYNYECLXPK-UHFFFAOYSA-N 1 2 330.453 2.514 50 0 EFAALO CC(C)N1C[C@]2(CCC[N@H+](Cc3nnc(C4CC4)o3)C2)CCC1=O ZINC000077319106 472501526 /nfs/dbraw/zinc/50/15/26/472501526.db2.gz HMOBYFSIGQMHLI-GOSISDBHSA-N 1 2 332.448 2.560 50 0 EFAALO CC(C)N1C[C@]2(CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)CCC1=O ZINC000077319106 472501533 /nfs/dbraw/zinc/50/15/33/472501533.db2.gz HMOBYFSIGQMHLI-GOSISDBHSA-N 1 2 332.448 2.560 50 0 EFAALO COc1cccc(C(=O)CSc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000070688634 472504264 /nfs/dbraw/zinc/50/42/64/472504264.db2.gz QFYSXXIZIZXNNT-UHFFFAOYSA-N 1 2 326.381 2.646 50 0 EFAALO O=C(CC[C@H]1CCCO1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000046122852 472515325 /nfs/dbraw/zinc/51/53/25/472515325.db2.gz MLFAZNCYBPJONU-RRGNZLCHSA-N 1 2 328.456 2.803 50 0 EFAALO CCc1nc(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)sc1C ZINC000058209483 472517675 /nfs/dbraw/zinc/51/76/75/472517675.db2.gz HEWXDKIXRLJMCP-UHFFFAOYSA-N 1 2 333.461 2.555 50 0 EFAALO CNc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2[nH+]ccn2C)s1 ZINC000077385942 472518543 /nfs/dbraw/zinc/51/85/43/472518543.db2.gz JVUCYPIVASWLIH-ZDUSSCGKSA-N 1 2 347.488 2.854 50 0 EFAALO CCCCOC(=O)N1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000077406676 472522740 /nfs/dbraw/zinc/52/27/40/472522740.db2.gz LDHHBBNPBXTERJ-OAHLLOKOSA-N 1 2 349.479 2.527 50 0 EFAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)OC(C)C)CC1 ZINC000077426017 472526212 /nfs/dbraw/zinc/52/62/12/472526212.db2.gz ZMBCLFGTTAYVAT-UHFFFAOYSA-N 1 2 349.479 2.618 50 0 EFAALO COCC1(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCC1 ZINC000077489426 472537871 /nfs/dbraw/zinc/53/78/71/472537871.db2.gz UOAPTAJBKOVECL-UHFFFAOYSA-N 1 2 336.863 2.801 50 0 EFAALO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000077503448 472540522 /nfs/dbraw/zinc/54/05/22/472540522.db2.gz DISYUIHEJFRIQF-CYBMUJFWSA-N 1 2 344.484 2.850 50 0 EFAALO Cn1ccnc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000077503448 472540527 /nfs/dbraw/zinc/54/05/27/472540527.db2.gz DISYUIHEJFRIQF-CYBMUJFWSA-N 1 2 344.484 2.850 50 0 EFAALO CC(C)c1noc(C[N@H+]2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 ZINC000077503815 472541593 /nfs/dbraw/zinc/54/15/93/472541593.db2.gz JBOYGMLESZUTJJ-SFHVURJKSA-N 1 2 334.464 2.806 50 0 EFAALO CC(C)c1noc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 ZINC000077503815 472541601 /nfs/dbraw/zinc/54/16/01/472541601.db2.gz JBOYGMLESZUTJJ-SFHVURJKSA-N 1 2 334.464 2.806 50 0 EFAALO Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)[nH]n2)o1 ZINC000077521509 472546152 /nfs/dbraw/zinc/54/61/52/472546152.db2.gz LRSAOSZNNASHSM-LBPRGKRZSA-N 1 2 325.372 2.721 50 0 EFAALO O=c1[nH]nc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1Cl ZINC000071278865 472546767 /nfs/dbraw/zinc/54/67/67/472546767.db2.gz GYUCCZVGXURWHS-UHFFFAOYSA-N 1 2 339.786 2.876 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)c1ccc(O)cn1 ZINC000071315086 472547641 /nfs/dbraw/zinc/54/76/41/472547641.db2.gz AKCKNDJQIQTNSG-UHFFFAOYSA-N 1 2 348.406 2.749 50 0 EFAALO CC(C)[C@@H]1C[N@H+](Cc2nccn2C(C)C)CCC(=O)N1CC1CC1 ZINC000071735830 472555837 /nfs/dbraw/zinc/55/58/37/472555837.db2.gz LWYSKBMHUOOZTN-KRWDZBQOSA-N 1 2 332.492 2.933 50 0 EFAALO CC(C)[C@@H]1C[N@@H+](Cc2nccn2C(C)C)CCC(=O)N1CC1CC1 ZINC000071735830 472555846 /nfs/dbraw/zinc/55/58/46/472555846.db2.gz LWYSKBMHUOOZTN-KRWDZBQOSA-N 1 2 332.492 2.933 50 0 EFAALO CC(C)[C@H]1C[N@H+](Cc2nccn2C(C)C)CCC(=O)N1CC1CC1 ZINC000071735832 472556758 /nfs/dbraw/zinc/55/67/58/472556758.db2.gz LWYSKBMHUOOZTN-QGZVFWFLSA-N 1 2 332.492 2.933 50 0 EFAALO CC(C)[C@H]1C[N@@H+](Cc2nccn2C(C)C)CCC(=O)N1CC1CC1 ZINC000071735832 472556763 /nfs/dbraw/zinc/55/67/63/472556763.db2.gz LWYSKBMHUOOZTN-QGZVFWFLSA-N 1 2 332.492 2.933 50 0 EFAALO CCCn1cc[nH+]c1CN1CCO[C@H](Cc2cccc(OC)c2)C1 ZINC000071745643 472557031 /nfs/dbraw/zinc/55/70/31/472557031.db2.gz WGVCAVPKEZKTHW-GOSISDBHSA-N 1 2 329.444 2.745 50 0 EFAALO Cc1cc(C(=O)NCC2(Cn3cc[nH+]c3)CC2)cc2sc(N)nc21 ZINC000071748892 472558780 /nfs/dbraw/zinc/55/87/80/472558780.db2.gz IZGUACOPGBPGNY-UHFFFAOYSA-N 1 2 341.440 2.594 50 0 EFAALO Cc1ccc2[nH]c(CCN3CCO[C@H](C(F)(F)F)C3)[nH+]c2c1C ZINC000071754277 472559991 /nfs/dbraw/zinc/55/99/91/472559991.db2.gz LROIVYPMGSTHJM-ZDUSSCGKSA-N 1 2 327.350 2.985 50 0 EFAALO Cc1ccc2[nH+]c(CCN3CCO[C@H](C(F)(F)F)C3)[nH]c2c1C ZINC000071754277 472559996 /nfs/dbraw/zinc/55/99/96/472559996.db2.gz LROIVYPMGSTHJM-ZDUSSCGKSA-N 1 2 327.350 2.985 50 0 EFAALO Cn1ccnc1-c1ccc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)nn1 ZINC000071759659 472561038 /nfs/dbraw/zinc/56/10/38/472561038.db2.gz NTOBKCCDOCPIMM-QGZVFWFLSA-N 1 2 345.410 2.927 50 0 EFAALO CC[C@H]1C[N@H+](Cc2snnc2C)CCC(=O)N1Cc1ccccc1 ZINC000071763081 472561923 /nfs/dbraw/zinc/56/19/23/472561923.db2.gz GUUVMJZGSHGCFW-INIZCTEOSA-N 1 2 344.484 2.860 50 0 EFAALO CC[C@H]1C[N@@H+](Cc2snnc2C)CCC(=O)N1Cc1ccccc1 ZINC000071763081 472561927 /nfs/dbraw/zinc/56/19/27/472561927.db2.gz GUUVMJZGSHGCFW-INIZCTEOSA-N 1 2 344.484 2.860 50 0 EFAALO Cc1ccc2[nH]c(=O)c(C[N@@H+]3CCO[C@H](C(F)(F)F)C3)cc2c1 ZINC000071760308 472561977 /nfs/dbraw/zinc/56/19/77/472561977.db2.gz JNZHKTVDMXYJKM-AWEZNQCLSA-N 1 2 326.318 2.600 50 0 EFAALO Cc1ccc2[nH]c(=O)c(C[N@H+]3CCO[C@H](C(F)(F)F)C3)cc2c1 ZINC000071760308 472561984 /nfs/dbraw/zinc/56/19/84/472561984.db2.gz JNZHKTVDMXYJKM-AWEZNQCLSA-N 1 2 326.318 2.600 50 0 EFAALO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2nc(Cc3ccccc3F)no2)n1 ZINC000071762952 472562092 /nfs/dbraw/zinc/56/20/92/472562092.db2.gz GMLZBVGYNDYGNN-CYBMUJFWSA-N 1 2 343.406 2.791 50 0 EFAALO Cc1[nH+]c2ccccn2c1CC(=O)NCc1nc(-c2ccccc2)no1 ZINC000071768031 472562833 /nfs/dbraw/zinc/56/28/33/472562833.db2.gz IVWDLOINJNHWGV-UHFFFAOYSA-N 1 2 347.378 2.552 50 0 EFAALO COc1ccc2cc([C@@H]3CN(c4cc(N)nc[nH+]4)CCO3)ccc2c1 ZINC000071775855 472564360 /nfs/dbraw/zinc/56/43/60/472564360.db2.gz BRVQORUHVAWHTQ-KRWDZBQOSA-N 1 2 336.395 2.799 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cc1cccc(OC(C)C)c1)C2 ZINC000072279045 472646206 /nfs/dbraw/zinc/64/62/06/472646206.db2.gz CKFOKPZIPDDTIK-INIZCTEOSA-N 1 2 327.428 2.652 50 0 EFAALO CC[NH+](CC)Cc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 ZINC000061722202 472715876 /nfs/dbraw/zinc/71/58/76/472715876.db2.gz PXCOHHQQQVEAOI-UHFFFAOYSA-N 1 2 330.461 2.761 50 0 EFAALO CC[NH+](CC)Cc1nnc2sc(-c3cc(OC)cc(OC)c3)nn12 ZINC000061722129 472716442 /nfs/dbraw/zinc/71/64/42/472716442.db2.gz OOQLHKMCJDWPBI-UHFFFAOYSA-N 1 2 347.444 2.712 50 0 EFAALO CCOP(=O)(OCC)c1ccccc1OC(=O)C[NH+](CC)CC ZINC000061864926 472723314 /nfs/dbraw/zinc/72/33/14/472723314.db2.gz KDNWMUAAVPFNTO-UHFFFAOYSA-N 1 2 343.360 2.825 50 0 EFAALO CCOC(=O)C1CC[NH+](CC(=O)c2c[nH]c3ccc(C)cc23)CC1 ZINC000061943402 472725278 /nfs/dbraw/zinc/72/52/78/472725278.db2.gz RPWRBKUNDPMCMV-UHFFFAOYSA-N 1 2 328.412 2.934 50 0 EFAALO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000047539364 472727934 /nfs/dbraw/zinc/72/79/34/472727934.db2.gz YGQYGUKCHOJOGA-UHFFFAOYSA-N 1 2 333.432 2.614 50 0 EFAALO CC(C)Cc1cc(C(=O)NC[C@H]2CCCN(c3cccc[nH+]3)C2)on1 ZINC000091320927 472757082 /nfs/dbraw/zinc/75/70/82/472757082.db2.gz NCPFCHLZANSKPE-OAHLLOKOSA-N 1 2 342.443 2.915 50 0 EFAALO CC(C)Cn1c[nH+]cc1CNC(=O)c1cccc(Cn2cccn2)c1 ZINC000091621154 472785060 /nfs/dbraw/zinc/78/50/60/472785060.db2.gz SCJJPZXKYGWEAX-UHFFFAOYSA-N 1 2 337.427 2.714 50 0 EFAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000091643970 472788960 /nfs/dbraw/zinc/78/89/60/472788960.db2.gz UGATXBINOWWIRX-MRXNPFEDSA-N 1 2 345.418 2.617 50 0 EFAALO Cn1cc(-c2cn(CCCn3cc[nH+]c3)nn2)c(-c2ccccc2)n1 ZINC000091830809 472813530 /nfs/dbraw/zinc/81/35/30/472813530.db2.gz BUKYWIXHGHDMJB-UHFFFAOYSA-N 1 2 333.399 2.632 50 0 EFAALO O=C(CCCOc1ccccc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000091829865 472813594 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ZINC000299783182 258091236 /nfs/dbraw/zinc/09/12/36/258091236.db2.gz KEFIVNGTZQWIFW-KRWDZBQOSA-N 1 2 344.484 2.944 50 0 EFAALO C[N@H+](CC(=O)NCc1ccc2c(c1)CC(C)(C)O2)Cc1ccccn1 ZINC000299758359 258075850 /nfs/dbraw/zinc/07/58/50/258075850.db2.gz LZDFFSNOWQEGMI-UHFFFAOYSA-N 1 2 339.439 2.543 50 0 EFAALO C[N@@H+](CC(=O)NCc1ccc2c(c1)CC(C)(C)O2)Cc1ccccn1 ZINC000299758359 258075852 /nfs/dbraw/zinc/07/58/52/258075852.db2.gz LZDFFSNOWQEGMI-UHFFFAOYSA-N 1 2 339.439 2.543 50 0 EFAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NC1CCCCC1 ZINC000055378836 132194967 /nfs/dbraw/zinc/19/49/67/132194967.db2.gz RGEGPSXSEZSJEU-UHFFFAOYSA-N 1 2 335.879 2.911 50 0 EFAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC000055555021 132196257 /nfs/dbraw/zinc/19/62/57/132196257.db2.gz ZNNQBVQGRZVAJG-UHFFFAOYSA-N 1 2 339.439 2.764 50 0 EFAALO C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000055562730 132196278 /nfs/dbraw/zinc/19/62/78/132196278.db2.gz GRUJFURGEMGLAU-INIZCTEOSA-N 1 2 341.430 2.825 50 0 EFAALO COC(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945678 132198300 /nfs/dbraw/zinc/19/83/00/132198300.db2.gz IDZRZJLYHOXBGY-INIZCTEOSA-N 1 2 347.390 2.638 50 0 EFAALO CC(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000056945355 132198383 /nfs/dbraw/zinc/19/83/83/132198383.db2.gz FOQWLQWROWUNOB-GOSISDBHSA-N 1 2 341.455 2.915 50 0 EFAALO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000042103856 135602287 /nfs/dbraw/zinc/60/22/87/135602287.db2.gz ZVFHTQMOOLMPFX-GFCCVEGCSA-N 1 2 334.383 2.889 50 0 EFAALO COc1c2c(c(NC(=O)c3cccs3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123945 277365479 /nfs/dbraw/zinc/36/54/79/277365479.db2.gz JWLONGFGOYYWTP-UHFFFAOYSA-N 1 2 346.408 2.726 50 0 biogenic EFAALO COc1c2c(c(NC(=O)c3cccs3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123945 277365481 /nfs/dbraw/zinc/36/54/81/277365481.db2.gz JWLONGFGOYYWTP-UHFFFAOYSA-N 1 2 346.408 2.726 50 0 biogenic EFAALO CSc1ccc2c(C)cc(N3CC[C@]4(CC(=O)NC4=O)C3)[nH+]c2c1 ZINC000082086623 277533447 /nfs/dbraw/zinc/53/34/47/277533447.db2.gz VXDBGDLCMIJKSV-SFHVURJKSA-N 1 2 341.436 2.508 50 0 EFAALO CC(=O)N1N=C2[C@H]([C@H]1c1ccc(Br)cc1)[NH+]1CCC2CC1 ZINC000020058928 278074802 /nfs/dbraw/zinc/07/48/02/278074802.db2.gz YHNOBRWBDPYSQK-HZPDHXFCSA-N 1 2 348.244 2.803 50 0 EFAALO C[NH+](C)/C=C1\CCC(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc21 ZINC000029763256 288929528 /nfs/dbraw/zinc/92/95/28/288929528.db2.gz MXRJIWWSIBOVRV-ACCUITESSA-N 1 2 338.363 2.771 50 0 EFAALO C[NH+](C)[C@@H]1CS(=O)(=O)[C@@]12CC1c3ccccc3C2c2ccccc21 ZINC000031716335 289335837 /nfs/dbraw/zinc/33/58/37/289335837.db2.gz DHIQQBILTIUGMZ-NBDWZHNGSA-N 1 2 339.460 2.765 50 0 EFAALO O=C(c1scc2c1CCCC2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000223190561 304616601 /nfs/dbraw/zinc/61/66/01/304616601.db2.gz VWIRQXBHPMXKDA-MRXNPFEDSA-N 1 2 348.512 2.954 50 0 EFAALO [NH2+]=C1N=C2NC(=O)c3ccccc3N2[C@H](c2ccc(Cl)cc2)N1 ZINC000009015890 303360433 /nfs/dbraw/zinc/36/04/33/303360433.db2.gz WSTWAGSUXASOTD-CYBMUJFWSA-N 1 2 325.759 2.848 50 0 EFAALO COCCn1c(C(=O)NCCc2c[nH+]c[nH]2)cc2cc(Cl)ccc21 ZINC000095474707 473211534 /nfs/dbraw/zinc/21/15/34/473211534.db2.gz DNMFKEKWLKHVCR-UHFFFAOYSA-N 1 2 346.818 2.637 50 0 EFAALO COCCn1c(C(=O)NCCc2c[nH]c[nH+]2)cc2cc(Cl)ccc21 ZINC000095474707 473211538 /nfs/dbraw/zinc/21/15/38/473211538.db2.gz DNMFKEKWLKHVCR-UHFFFAOYSA-N 1 2 346.818 2.637 50 0 EFAALO Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc[nH+]c1N1CCCCC1)CC(=O)O2 ZINC000095479410 473212225 /nfs/dbraw/zinc/21/22/25/473212225.db2.gz MDAFANUNNNXIHS-AWEZNQCLSA-N 1 2 339.395 2.510 50 0 EFAALO Cc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2cc(O)ccc2n1C ZINC000095507562 473215679 /nfs/dbraw/zinc/21/56/79/473215679.db2.gz ZGNSDSPRUPCJLS-ZDUSSCGKSA-N 1 2 338.411 2.935 50 0 EFAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000095499495 473213649 /nfs/dbraw/zinc/21/36/49/473213649.db2.gz YVLBWFFXLUDONI-HNNXBMFYSA-N 1 2 331.416 2.759 50 0 EFAALO Cc1[nH]ccc1C(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095515242 473217497 /nfs/dbraw/zinc/21/74/97/473217497.db2.gz BQEFKDJWSPRSAU-UHFFFAOYSA-N 1 2 349.438 2.983 50 0 EFAALO O=C(NCCCc1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000095518184 473217568 /nfs/dbraw/zinc/21/75/68/473217568.db2.gz GCXIFNWNEYWRJG-UHFFFAOYSA-N 1 2 343.427 2.866 50 0 EFAALO O=C([O-])c1ccc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)[nH+]c1 ZINC000095528138 473221279 /nfs/dbraw/zinc/22/12/79/473221279.db2.gz LHJUETVDWMIUIX-UHFFFAOYSA-N 1 2 326.400 2.770 50 0 EFAALO Cc1cn2cc(C(=O)N(C)Cc3nc4cc(F)ccc4[nH]3)ccc2[nH+]1 ZINC000082107791 473289014 /nfs/dbraw/zinc/28/90/14/473289014.db2.gz GPCSMAYCOAOVAV-UHFFFAOYSA-N 1 2 337.358 2.930 50 0 EFAALO COc1cc2c(cc1C[N@H+]1Cc3ccccc3[C@@H](O)C1)OCCCO2 ZINC000082099731 473289346 /nfs/dbraw/zinc/28/93/46/473289346.db2.gz CBLFFIOOCTVKCJ-KRWDZBQOSA-N 1 2 341.407 2.906 50 0 EFAALO COc1cc2c(cc1C[N@@H+]1Cc3ccccc3[C@@H](O)C1)OCCCO2 ZINC000082099731 473289355 /nfs/dbraw/zinc/28/93/55/473289355.db2.gz CBLFFIOOCTVKCJ-KRWDZBQOSA-N 1 2 341.407 2.906 50 0 EFAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cn(C)c3ccccc23)C1 ZINC000082108105 473290609 /nfs/dbraw/zinc/29/06/09/473290609.db2.gz DGYPQHIZDPMNKO-OAHLLOKOSA-N 1 2 336.439 2.861 50 0 EFAALO COCC1(C(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)CCC1 ZINC000082115961 473291258 /nfs/dbraw/zinc/29/12/58/473291258.db2.gz RMVGZKLUSKCWQH-UHFFFAOYSA-N 1 2 331.460 2.816 50 0 EFAALO O=C(c1ncc[nH]1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082134677 473293525 /nfs/dbraw/zinc/29/35/25/473293525.db2.gz XTMDQAJTSVRXKB-MRXNPFEDSA-N 1 2 335.411 2.674 50 0 EFAALO Cc1[nH+]c2ccc(F)cn2c1CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000082238084 473299034 /nfs/dbraw/zinc/29/90/34/473299034.db2.gz IVSDNAKSWDSGJF-UHFFFAOYSA-N 1 2 348.422 2.835 50 0 EFAALO CC1(C)OC(=O)C[C@@H]1C(=O)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000096117137 473305205 /nfs/dbraw/zinc/30/52/05/473305205.db2.gz LDCULRMXPZLDMH-CYBMUJFWSA-N 1 2 343.427 2.734 50 0 EFAALO CCNC(=O)c1ccc(NC(=O)N(C)Cc2[nH+]ccn2CC)c(C)c1 ZINC000096147927 473315367 /nfs/dbraw/zinc/31/53/67/473315367.db2.gz IYBXPGYSCVGYPC-UHFFFAOYSA-N 1 2 343.431 2.625 50 0 EFAALO COCCc1nc(C2(Cn3cc[nH+]c3)CC2)n(C2CCCCC2)n1 ZINC000096151496 473316423 /nfs/dbraw/zinc/31/64/23/473316423.db2.gz DMBPZYCCFQANGI-UHFFFAOYSA-N 1 2 329.448 2.901 50 0 EFAALO CSc1nc(-c2ccccc2)nc(N2CC[NH+](C)CC2)c1C(C)=O ZINC000000229636 471338996 /nfs/dbraw/zinc/33/89/96/471338996.db2.gz NKERTIBVESTPFT-UHFFFAOYSA-N 1 2 342.468 2.820 50 0 EFAALO COC(=O)c1cccc(OC[C@H](O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000000243160 471339740 /nfs/dbraw/zinc/33/97/40/471339740.db2.gz HTQWURAZDXSEFU-OAHLLOKOSA-N 1 2 340.379 2.571 50 0 EFAALO COC(=O)c1ccc(OC[C@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000000243147 471340490 /nfs/dbraw/zinc/34/04/90/471340490.db2.gz PEANRFKFFVOHKA-OAHLLOKOSA-N 1 2 340.379 2.571 50 0 EFAALO CCc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000002961177 471428502 /nfs/dbraw/zinc/42/85/02/471428502.db2.gz BLGBKXACDYZPPE-UHFFFAOYSA-N 1 2 343.452 2.726 50 0 EFAALO COc1ccc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1OC ZINC000002960978 471429038 /nfs/dbraw/zinc/42/90/38/471429038.db2.gz ANFXDCMCTHMYNS-UHFFFAOYSA-N 1 2 339.395 2.632 50 0 EFAALO CCOc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCCC[C@H]2C)n1 ZINC000004168461 471461467 /nfs/dbraw/zinc/46/14/67/471461467.db2.gz HHXJKPQCRMZZEA-CYBMUJFWSA-N 1 2 342.447 2.971 50 0 EFAALO CCOc1ccccc1Nc1nc(N)nc(C[N@H+]2CCCC[C@H]2C)n1 ZINC000004168461 471461471 /nfs/dbraw/zinc/46/14/71/471461471.db2.gz HHXJKPQCRMZZEA-CYBMUJFWSA-N 1 2 342.447 2.971 50 0 EFAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000004354566 471463911 /nfs/dbraw/zinc/46/39/11/471463911.db2.gz JFMWSKAGSMRHTQ-TXEJJXNPSA-N 1 2 327.363 2.568 50 0 EFAALO CC[C@H](Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)C(=O)OC ZINC000004341605 471464073 /nfs/dbraw/zinc/46/40/73/471464073.db2.gz UARLIUBDMDFLAK-ZDUSSCGKSA-N 1 2 346.387 2.998 50 0 EFAALO O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004805908 471474626 /nfs/dbraw/zinc/47/46/26/471474626.db2.gz SUAVILJNLWTWSW-UHFFFAOYSA-N 1 2 349.793 2.602 50 0 EFAALO O=C(COc1ccc2ccccc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004996295 471483295 /nfs/dbraw/zinc/48/32/95/471483295.db2.gz OEEAFLLRFIFMCC-UHFFFAOYSA-N 1 2 347.418 2.962 50 0 EFAALO Cc1ccc(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000005047609 471484039 /nfs/dbraw/zinc/48/40/39/471484039.db2.gz HBPYQSRCGGWQMK-UHFFFAOYSA-N 1 2 327.453 2.831 50 0 EFAALO COc1ccccc1/N=c1\scc(C)n1CCC[NH+]1CCOCC1 ZINC000005299065 471498892 /nfs/dbraw/zinc/49/88/92/471498892.db2.gz NBSUFGDQEDFKKC-HNENSFHCSA-N 1 2 347.484 2.821 50 0 EFAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC2CCCCC2)CC1 ZINC000006701469 471561312 /nfs/dbraw/zinc/56/13/12/471561312.db2.gz AAUQHXZZSVAPDF-UHFFFAOYSA-N 1 2 344.459 2.528 50 0 EFAALO Cc1cc(N2CCN(C(=O)c3ccccn3)CC2)[nH+]c2ccccc12 ZINC000008991877 471708297 /nfs/dbraw/zinc/70/82/97/471708297.db2.gz IKMXRIWVIYMWQV-UHFFFAOYSA-N 1 2 332.407 2.901 50 0 EFAALO CN(c1ccccc1)c1nc(-n2cc[nH+]c2)nc(N2CCCCC2)n1 ZINC000009190165 471712606 /nfs/dbraw/zinc/71/26/06/471712606.db2.gz LRMZHNMYDPWHLD-UHFFFAOYSA-N 1 2 335.415 2.816 50 0 EFAALO CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000010386220 471734709 /nfs/dbraw/zinc/73/47/09/471734709.db2.gz SUHYZZDOFOXJSU-NSHDSACASA-N 1 2 331.807 2.960 50 0 EFAALO C[NH+](C)c1ccc(NC2=CC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000011613112 471755492 /nfs/dbraw/zinc/75/54/92/471755492.db2.gz WIONOZSSGWDAQC-UHFFFAOYSA-N 1 2 335.407 2.660 50 0 EFAALO OCC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccccc1 ZINC000011816347 471760122 /nfs/dbraw/zinc/76/01/22/471760122.db2.gz RSGLMLXXMDLJJF-UHFFFAOYSA-N 1 2 341.386 2.794 50 0 EFAALO OCC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccccc1 ZINC000011816347 471760127 /nfs/dbraw/zinc/76/01/27/471760127.db2.gz RSGLMLXXMDLJJF-UHFFFAOYSA-N 1 2 341.386 2.794 50 0 EFAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(C)n[nH]3)C2)cc1F ZINC000011935264 471761861 /nfs/dbraw/zinc/76/18/61/471761861.db2.gz YOZIVAKQQRRXKZ-CQSZACIVSA-N 1 2 331.391 2.961 50 0 EFAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(C)n[nH]3)C2)cc1F ZINC000011935264 471761863 /nfs/dbraw/zinc/76/18/63/471761863.db2.gz YOZIVAKQQRRXKZ-CQSZACIVSA-N 1 2 331.391 2.961 50 0 EFAALO Cc1nc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c[nH]1 ZINC000012299900 471770345 /nfs/dbraw/zinc/77/03/45/471770345.db2.gz WTJGVKWGVXAQPI-UHFFFAOYSA-N 1 2 344.463 2.736 50 0 EFAALO C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012380492 471773629 /nfs/dbraw/zinc/77/36/29/471773629.db2.gz PTUNWFFYRXJMLY-CQSZACIVSA-N 1 2 345.830 2.851 50 0 EFAALO NC1=[NH+]n2c(nnc2-c2cccc(OCc3ccccc3)c2)SC1 ZINC000012391486 471774970 /nfs/dbraw/zinc/77/49/70/471774970.db2.gz TXOJYYNUZWJTAN-UHFFFAOYSA-N 1 2 337.408 2.750 50 0 EFAALO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccon2)CC1 ZINC000012459514 471776431 /nfs/dbraw/zinc/77/64/31/471776431.db2.gz NSZOKRWOMKFSEJ-UHFFFAOYSA-N 1 2 331.420 2.693 50 0 EFAALO O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCCCn1cc[nH+]c1 ZINC000012627722 471787279 /nfs/dbraw/zinc/78/72/79/471787279.db2.gz BPRMJDRBWNZWLP-UHFFFAOYSA-N 1 2 344.802 2.941 50 0 EFAALO CSc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000012748388 471792675 /nfs/dbraw/zinc/79/26/75/471792675.db2.gz 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CCc1noc(C)c1C(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000016580074 471941915 /nfs/dbraw/zinc/94/19/15/471941915.db2.gz ORAKKOLJFWGKNA-UHFFFAOYSA-N 1 2 327.428 2.812 50 0 EFAALO O=C(c1ccc(-n2cccc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638503 471945931 /nfs/dbraw/zinc/94/59/31/471945931.db2.gz SZVDJBVQBUGUIO-UHFFFAOYSA-N 1 2 332.407 2.835 50 0 EFAALO O=C1C=C([NH2+]Nc2nc3ccccc3s2)C(O)N1c1ccccc1 ZINC000018249974 471974402 /nfs/dbraw/zinc/97/44/02/471974402.db2.gz QRWKKKIMSNLZRZ-CYBMUJFWSA-N 1 2 338.392 2.545 50 0 EFAALO c1ccc(N2CCN(C[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000019313351 471978502 /nfs/dbraw/zinc/97/85/02/471978502.db2.gz OYSWGVYILLGXLT-UHFFFAOYSA-N 1 2 336.483 2.588 50 0 EFAALO COc1ccc(C(=O)[C@@H]2CCCN(Cc3c[nH+]c(C)[nH]3)C2)c(OC)c1 ZINC000019227734 471978686 /nfs/dbraw/zinc/97/86/86/471978686.db2.gz IUJCELFOUXHHSP-CQSZACIVSA-N 1 2 343.427 2.830 50 0 EFAALO COc1ccc(C(=O)[C@@H]2CCCN(Cc3c[nH]c(C)[nH+]3)C2)c(OC)c1 ZINC000019227734 471978691 /nfs/dbraw/zinc/97/86/91/471978691.db2.gz 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Cc1ccc(NC(=O)CC(=O)NCc2c[nH+]c3c(C)cccn23)cc1 ZINC000067640962 472064509 /nfs/dbraw/zinc/06/45/09/472064509.db2.gz QGRMPMFCJBJAPT-UHFFFAOYSA-N 1 2 336.395 2.596 50 0 EFAALO CC(=O)NCC[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067675142 472069507 /nfs/dbraw/zinc/06/95/07/472069507.db2.gz ZKJGPHOQVGNBSG-UHFFFAOYSA-N 1 2 340.423 2.698 50 0 EFAALO CC(=O)NCC[N@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067675142 472069509 /nfs/dbraw/zinc/06/95/09/472069509.db2.gz ZKJGPHOQVGNBSG-UHFFFAOYSA-N 1 2 340.423 2.698 50 0 EFAALO CC(C)C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)CC[C@@]1(C)O ZINC000067675993 472069699 /nfs/dbraw/zinc/06/96/99/472069699.db2.gz NTZGZSIDYZKNDJ-HNAYVOBHSA-N 1 2 345.443 2.784 50 0 EFAALO CC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1 ZINC000067675371 472069820 /nfs/dbraw/zinc/06/98/20/472069820.db2.gz JCUICXCZABZTID-HNNXBMFYSA-N 1 2 335.354 2.639 50 0 EFAALO CC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3cc(F)cc(F)c3)oc2C)C1 ZINC000067675371 472069827 /nfs/dbraw/zinc/06/98/27/472069827.db2.gz 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Cn1cc[nH+]c1CN(C(=O)CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000054039065 214211547 /nfs/dbraw/zinc/21/15/47/214211547.db2.gz XEXLKKWFCIMLAT-UHFFFAOYSA-N 1 2 329.375 2.713 50 0 EFAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@@H]1CCOC1 ZINC000097729819 219051418 /nfs/dbraw/zinc/05/14/18/219051418.db2.gz OOOIQQZCWDVGHL-YMAMQOFZSA-N 1 2 327.428 2.989 50 0 EFAALO CCCC(=O)Nc1cccc(C(=O)N(C)Cc2[nH+]ccn2CC)c1 ZINC000055108134 214274893 /nfs/dbraw/zinc/27/48/93/214274893.db2.gz MRVDXFDRIUMGIG-UHFFFAOYSA-N 1 2 328.416 2.914 50 0 EFAALO COc1ccccc1CN(C(=O)C[N@H+](C)Cc1ccncc1)C1CC1 ZINC000055270092 214299201 /nfs/dbraw/zinc/29/92/01/214299201.db2.gz QEGONRKYSZIBIF-UHFFFAOYSA-N 1 2 339.439 2.713 50 0 EFAALO COc1ccccc1CN(C(=O)C[N@@H+](C)Cc1ccncc1)C1CC1 ZINC000055270092 214299204 /nfs/dbraw/zinc/29/92/04/214299204.db2.gz QEGONRKYSZIBIF-UHFFFAOYSA-N 1 2 339.439 2.713 50 0 EFAALO CCCCc1ccc(-n2cc(C[NH2+][C@@H]3C=CS(=O)(=O)C3)cn2)cc1 ZINC000055393619 214319287 /nfs/dbraw/zinc/31/92/87/214319287.db2.gz 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215176099 /nfs/dbraw/zinc/17/60/99/215176099.db2.gz FPSXXKANLGECEF-UHFFFAOYSA-N 1 2 333.391 2.852 50 0 EFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)C1CC1 ZINC000067674360 215178656 /nfs/dbraw/zinc/17/86/56/215178656.db2.gz ANQAIGDEUHFQTJ-MRXNPFEDSA-N 1 2 339.374 2.830 50 0 EFAALO C[C@@H](c1cccs1)N(C)C(=O)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067673467 215179096 /nfs/dbraw/zinc/17/90/96/215179096.db2.gz HLPJFICPFINWEZ-LBPRGKRZSA-N 1 2 349.456 2.526 50 0 EFAALO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067714173 215192350 /nfs/dbraw/zinc/19/23/50/215192350.db2.gz FMJAZGXFUNGBQV-KRWDZBQOSA-N 1 2 336.395 2.534 50 0 EFAALO COC(=O)[C@@H]1CCC[N@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067714173 215192354 /nfs/dbraw/zinc/19/23/54/215192354.db2.gz FMJAZGXFUNGBQV-KRWDZBQOSA-N 1 2 336.395 2.534 50 0 EFAALO COc1ccc2[nH]c(C(=O)NCc3ccc[nH+]c3N(C)C)c(C)c2c1 ZINC000067689155 215185279 /nfs/dbraw/zinc/18/52/79/215185279.db2.gz PALRRZGSFQOKOO-UHFFFAOYSA-N 1 2 338.411 2.876 50 0 EFAALO CNC(=O)C[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067689236 215186359 /nfs/dbraw/zinc/18/63/59/215186359.db2.gz AVWLVGNHDGQEER-UHFFFAOYSA-N 1 2 346.434 2.848 50 0 EFAALO CNC(=O)C[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067689236 215186364 /nfs/dbraw/zinc/18/63/64/215186364.db2.gz AVWLVGNHDGQEER-UHFFFAOYSA-N 1 2 346.434 2.848 50 0 EFAALO CC(C)n1cc[nH+]c1Cn1ccnc1-c1ccc(OCCO)cc1 ZINC000067847078 215228989 /nfs/dbraw/zinc/22/89/89/215228989.db2.gz WFQVUUGHMFYNCJ-UHFFFAOYSA-N 1 2 326.400 2.747 50 0 EFAALO COC(=O)Cc1cc(C2CC[NH+](Cc3ccncc3Cl)CC2)[nH]n1 ZINC000067880251 215238571 /nfs/dbraw/zinc/23/85/71/215238571.db2.gz FMAGOAFPVFFEOV-UHFFFAOYSA-N 1 2 348.834 2.553 50 0 EFAALO COC(C)(C)C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000067885458 215240891 /nfs/dbraw/zinc/24/08/91/215240891.db2.gz CVUZWZWORFWZIX-UHFFFAOYSA-N 1 2 327.428 2.759 50 0 EFAALO Cc1ccsc1C(=O)NCC[C@@H]1C[N@H+](Cc2ccco2)CCO1 ZINC000067921810 215251312 /nfs/dbraw/zinc/25/13/12/215251312.db2.gz FBXMMZUPGRFPDZ-OAHLLOKOSA-N 1 2 334.441 2.670 50 0 EFAALO Cc1ccsc1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccco2)CCO1 ZINC000067921810 215251317 /nfs/dbraw/zinc/25/13/17/215251317.db2.gz FBXMMZUPGRFPDZ-OAHLLOKOSA-N 1 2 334.441 2.670 50 0 EFAALO Cc1cc(C)n([C@H]2CCN(C(=O)Cn3cc[nH+]c3-c3ccccc3)C2)n1 ZINC000067947682 215256244 /nfs/dbraw/zinc/25/62/44/215256244.db2.gz HKMRQLIMNNIYKR-SFHVURJKSA-N 1 2 349.438 2.837 50 0 EFAALO CC(C)c1cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)n[nH]1 ZINC000039557910 213241253 /nfs/dbraw/zinc/24/12/53/213241253.db2.gz NQIXEPGLMGCICI-LJQANCHMSA-N 1 2 342.487 2.602 50 0 EFAALO CC(C)c1cc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)n[nH]1 ZINC000039557910 213241258 /nfs/dbraw/zinc/24/12/58/213241258.db2.gz NQIXEPGLMGCICI-LJQANCHMSA-N 1 2 342.487 2.602 50 0 EFAALO CCCS(=O)(=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000039515332 213237399 /nfs/dbraw/zinc/23/73/99/213237399.db2.gz VUIUXSNBQNNHQK-UHFFFAOYSA-N 1 2 325.478 2.682 50 0 EFAALO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc(Cl)c1)c1ccco1 ZINC000038630086 213217583 /nfs/dbraw/zinc/21/75/83/213217583.db2.gz GFTOXLZVNZOVNB-CQSZACIVSA-N 1 2 342.848 2.655 50 0 EFAALO Cc1cc(NC(=O)C[NH+]2CCC(COCc3ccccc3)CC2)no1 ZINC000070655724 215703475 /nfs/dbraw/zinc/70/34/75/215703475.db2.gz RIBYVXYYJHMMQT-UHFFFAOYSA-N 1 2 343.427 2.850 50 0 EFAALO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccco1 ZINC000036078832 213060398 /nfs/dbraw/zinc/06/03/98/213060398.db2.gz XIVCUCFLVXOHQC-AWEZNQCLSA-N 1 2 342.848 2.655 50 0 EFAALO COc1ccc(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000035807441 213049321 /nfs/dbraw/zinc/04/93/21/213049321.db2.gz NXBCZACRBYRVOJ-UHFFFAOYSA-N 1 2 341.407 2.953 50 0 biogenic EFAALO COc1ccc(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000035807441 213049324 /nfs/dbraw/zinc/04/93/24/213049324.db2.gz NXBCZACRBYRVOJ-UHFFFAOYSA-N 1 2 341.407 2.953 50 0 biogenic EFAALO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000072122440 216014941 /nfs/dbraw/zinc/01/49/41/216014941.db2.gz PFUHVQQLBQDDJD-INIZCTEOSA-N 1 2 347.422 2.757 50 0 EFAALO O=C(c1ccccn1)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000072122440 216014943 /nfs/dbraw/zinc/01/49/43/216014943.db2.gz PFUHVQQLBQDDJD-INIZCTEOSA-N 1 2 347.422 2.757 50 0 EFAALO C[NH+](C)Cc1nc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)cs1 ZINC000072122576 216015570 /nfs/dbraw/zinc/01/55/70/216015570.db2.gz GPEHAQBYPUKYRB-OAHLLOKOSA-N 1 2 344.484 2.921 50 0 EFAALO CCCn1cc[nH+]c1CNc1nc(-c2ccncc2)nc2c1cnn2C ZINC000072140423 216027370 /nfs/dbraw/zinc/02/73/70/216027370.db2.gz RIOVTEONDOPGKO-UHFFFAOYSA-N 1 2 348.414 2.644 50 0 EFAALO Fc1cccc(C[NH+]2CCN(Cc3cccc4nonc43)CC2)c1 ZINC000072165462 216053980 /nfs/dbraw/zinc/05/39/80/216053980.db2.gz IFFWNHGVCPGLOR-UHFFFAOYSA-N 1 2 326.375 2.680 50 0 EFAALO COc1cc(C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)cc(Cl)c1OC ZINC000072278879 216106569 /nfs/dbraw/zinc/10/65/69/216106569.db2.gz NMWIUIQDGUBFND-LBPRGKRZSA-N 1 2 349.818 2.607 50 0 EFAALO Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCCN(c2nccs2)C1 ZINC000072407596 216198278 /nfs/dbraw/zinc/19/82/78/216198278.db2.gz KRDOMJOXNCDOMU-AWEZNQCLSA-N 1 2 346.504 2.642 50 0 EFAALO Cc1c[nH]c(CN(C)c2nc(C3CCCC3)nc3c2cnn3C)[nH+]1 ZINC000072419960 216208896 /nfs/dbraw/zinc/20/88/96/216208896.db2.gz OKGAGAGPMNZSKE-UHFFFAOYSA-N 1 2 325.420 2.689 50 0 EFAALO Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072419914 216209035 /nfs/dbraw/zinc/20/90/35/216209035.db2.gz OOYOTOFIQDACCX-UHFFFAOYSA-N 1 2 348.410 2.590 50 0 EFAALO CN(C)S(=O)(=O)CCn1cc[nH+]c1-c1ccc(-c2ccco2)cc1 ZINC000072422163 216210400 /nfs/dbraw/zinc/21/04/00/216210400.db2.gz YZEKFBOMGGJHJB-UHFFFAOYSA-N 1 2 345.424 2.702 50 0 EFAALO Cc1ccc([C@@H](C)CC[NH+]2CCC(C(=O)[O-])(n3cc[nH+]c3)CC2)o1 ZINC000072429734 216221829 /nfs/dbraw/zinc/22/18/29/216221829.db2.gz UAKFTAULNOYXNB-AWEZNQCLSA-N 1 2 331.416 2.854 50 0 EFAALO Cc1ccc([C@H](C)CC[NH+]2CCC(C(=O)[O-])(n3cc[nH+]c3)CC2)o1 ZINC000072429735 216222039 /nfs/dbraw/zinc/22/20/39/216222039.db2.gz UAKFTAULNOYXNB-CQSZACIVSA-N 1 2 331.416 2.854 50 0 EFAALO OC[C@H]1COCC[N@@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000072433268 216227880 /nfs/dbraw/zinc/22/78/80/216227880.db2.gz AVLJWIPLJJABQI-FQEVSTJZSA-N 1 2 349.434 2.937 50 0 EFAALO OC[C@H]1COCC[N@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000072433268 216227883 /nfs/dbraw/zinc/22/78/83/216227883.db2.gz AVLJWIPLJJABQI-FQEVSTJZSA-N 1 2 349.434 2.937 50 0 EFAALO OC[C@@H]1COCC[N@@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000072433269 216228276 /nfs/dbraw/zinc/22/82/76/216228276.db2.gz AVLJWIPLJJABQI-HXUWFJFHSA-N 1 2 349.434 2.937 50 0 EFAALO OC[C@@H]1COCC[N@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000072433269 216228279 /nfs/dbraw/zinc/22/82/79/216228279.db2.gz AVLJWIPLJJABQI-HXUWFJFHSA-N 1 2 349.434 2.937 50 0 EFAALO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1[nH]nc2ccccc21 ZINC000072462812 216245899 /nfs/dbraw/zinc/24/58/99/216245899.db2.gz WJXMEHCLBJRXPU-MRXNPFEDSA-N 1 2 334.423 2.692 50 0 EFAALO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1[nH]nc2ccccc21 ZINC000072462812 216245900 /nfs/dbraw/zinc/24/59/00/216245900.db2.gz WJXMEHCLBJRXPU-MRXNPFEDSA-N 1 2 334.423 2.692 50 0 EFAALO C[NH+]1CCN(C(=O)c2cc(C(F)(F)F)nc(C(F)(F)F)c2)CC1 ZINC000022996465 212340386 /nfs/dbraw/zinc/34/03/86/212340386.db2.gz RBCVVYQWZNQVAJ-UHFFFAOYSA-N 1 2 341.255 2.507 50 0 EFAALO COCCN1CC[NH+](Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000022910539 212332843 /nfs/dbraw/zinc/33/28/43/212332843.db2.gz UIWYHMVUPWJPHK-UHFFFAOYSA-N 1 2 340.427 2.587 50 0 EFAALO Cc1nc(-c2cccnc2)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000022237578 212284776 /nfs/dbraw/zinc/28/47/76/212284776.db2.gz KPHWAABWERVTMF-UHFFFAOYSA-N 1 2 327.413 2.530 50 0 EFAALO Cc1[nH+]c2cc(CNC(=O)C(=O)CCc3ccccc3)ccc2n1C ZINC000215907109 241153590 /nfs/dbraw/zinc/15/35/90/241153590.db2.gz HWDKLFXQGQAONC-UHFFFAOYSA-N 1 2 335.407 2.700 50 0 EFAALO C[N@H+](CCn1c2ccccc2oc1=O)Cc1noc2c1CCCC2 ZINC000216024850 241159391 /nfs/dbraw/zinc/15/93/91/241159391.db2.gz VQLRPMJQNZOVFS-UHFFFAOYSA-N 1 2 327.384 2.593 50 0 EFAALO C[N@@H+](CCn1c2ccccc2oc1=O)Cc1noc2c1CCCC2 ZINC000216024850 241159397 /nfs/dbraw/zinc/15/93/97/241159397.db2.gz VQLRPMJQNZOVFS-UHFFFAOYSA-N 1 2 327.384 2.593 50 0 EFAALO Cc1[nH]c2ccc(CNC(=O)c3ccc(SCCO)cc3)cc2[nH+]1 ZINC000216345828 241183633 /nfs/dbraw/zinc/18/36/33/241183633.db2.gz WWUFBYJBXVFIJV-UHFFFAOYSA-N 1 2 341.436 2.886 50 0 EFAALO Cc1[nH]c2cc(CNC(=O)c3ccc(SCCO)cc3)ccc2[nH+]1 ZINC000216345828 241183643 /nfs/dbraw/zinc/18/36/43/241183643.db2.gz WWUFBYJBXVFIJV-UHFFFAOYSA-N 1 2 341.436 2.886 50 0 EFAALO O=C(NC[C@H](CO)Cc1ccsc1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000216378057 241186970 /nfs/dbraw/zinc/18/69/70/241186970.db2.gz IBQVMULHUGDMOL-CQSZACIVSA-N 1 2 341.436 2.719 50 0 EFAALO c1nc(C2CC[NH+](Cc3cnc(NCc4ccccc4)nc3)CC2)n[nH]1 ZINC000215604993 241134374 /nfs/dbraw/zinc/13/43/74/241134374.db2.gz CICJHRATBFZQQB-UHFFFAOYSA-N 1 2 349.442 2.586 50 0 EFAALO CN1CC[NH+](Cc2ccc(C(=O)c3cc(F)cc(F)c3)cc2)CC1 ZINC000022027958 212270630 /nfs/dbraw/zinc/27/06/30/212270630.db2.gz MJOSGHYFBCJNNT-UHFFFAOYSA-N 1 2 330.378 2.943 50 0 EFAALO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2nc3cccc(C)c3[nH]2)C1 ZINC000219553448 241396097 /nfs/dbraw/zinc/39/60/97/241396097.db2.gz CRORQJXUXMHXIC-OAHLLOKOSA-N 1 2 337.427 2.782 50 0 EFAALO CN(C)c1nc(N(C)C)c(NC(=O)Nc2cc(F)cc(F)c2)c[nH+]1 ZINC000224140548 241731544 /nfs/dbraw/zinc/73/15/44/241731544.db2.gz NZYSDYWZXKMMAT-UHFFFAOYSA-N 1 2 336.346 2.531 50 0 EFAALO Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccc4c(c3)OCO4)no2)o1 ZINC000020996866 212195960 /nfs/dbraw/zinc/19/59/60/212195960.db2.gz XFDNBBDBISEASS-UHFFFAOYSA-N 1 2 327.340 2.999 50 0 EFAALO Cc1ccc(C[N@H+](C)Cc2nc(-c3ccc4c(c3)OCO4)no2)o1 ZINC000020996866 212195964 /nfs/dbraw/zinc/19/59/64/212195964.db2.gz XFDNBBDBISEASS-UHFFFAOYSA-N 1 2 327.340 2.999 50 0 EFAALO CCN(CC)C(=O)Cn1ccc(-c2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000020868391 212180059 /nfs/dbraw/zinc/18/00/59/212180059.db2.gz IIFJJDMJWHFJSC-UHFFFAOYSA-N 1 2 337.427 2.819 50 0 EFAALO O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000244691777 243059843 /nfs/dbraw/zinc/05/98/43/243059843.db2.gz JJENKXTWQHCJPP-HBUWYVDXSA-N 1 2 348.406 2.714 50 0 EFAALO CC[N@H+](CCc1nc2cc(OC)ccc2[nH]1)Cc1nnc(C2CC2)o1 ZINC000244574875 243040337 /nfs/dbraw/zinc/04/03/37/243040337.db2.gz CSTUMSVXGRJQDR-UHFFFAOYSA-N 1 2 341.415 2.897 50 0 EFAALO CC[N@@H+](CCc1nc2cc(OC)ccc2[nH]1)Cc1nnc(C2CC2)o1 ZINC000244574875 243040343 /nfs/dbraw/zinc/04/03/43/243040343.db2.gz CSTUMSVXGRJQDR-UHFFFAOYSA-N 1 2 341.415 2.897 50 0 EFAALO CSCc1noc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)n1 ZINC000244647085 243050723 /nfs/dbraw/zinc/05/07/23/243050723.db2.gz GUVQHRGNTHRDHQ-INIZCTEOSA-N 1 2 347.484 2.748 50 0 EFAALO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H]1c1nc2cccc(C)c2[nH]1 ZINC000244659623 243051765 /nfs/dbraw/zinc/05/17/65/243051765.db2.gz HGANFSGFCPUJHB-OAHLLOKOSA-N 1 2 337.427 2.994 50 0 EFAALO Cc1ccn2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nc2c1 ZINC000020727997 212164702 /nfs/dbraw/zinc/16/47/02/212164702.db2.gz BNKSRBWSJZBLDN-UHFFFAOYSA-N 1 2 334.423 2.601 50 0 EFAALO CCC(=O)c1ccccc1OCCOCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020653332 212160582 /nfs/dbraw/zinc/16/05/82/212160582.db2.gz FEWGUZMNCJGGLQ-HZPDHXFCSA-N 1 2 335.444 2.784 50 0 EFAALO COc1ccc(C[N@H+](C)Cc2c(C)nn(C)c2C)c(OC)c1OC ZINC000020599116 212150797 /nfs/dbraw/zinc/15/07/97/212150797.db2.gz REVYNCSQJARQIF-UHFFFAOYSA-N 1 2 333.432 2.695 50 0 EFAALO COc1ccc(C[N@@H+](C)Cc2c(C)nn(C)c2C)c(OC)c1OC ZINC000020599116 212150799 /nfs/dbraw/zinc/15/07/99/212150799.db2.gz REVYNCSQJARQIF-UHFFFAOYSA-N 1 2 333.432 2.695 50 0 EFAALO CC(C)CNC(=S)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020468659 212134390 /nfs/dbraw/zinc/13/43/90/212134390.db2.gz AAYDRTVRRBTAMY-UHFFFAOYSA-N 1 2 325.909 2.988 50 0 EFAALO OCC[C@H]1CN(Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1F ZINC000020452123 212130735 /nfs/dbraw/zinc/13/07/35/212130735.db2.gz JPHGAGROYYVGLI-SFHVURJKSA-N 1 2 344.430 2.600 50 0 EFAALO OCC[C@H]1CN(Cc2ccc(O)cc2)CC[N@H+]1Cc1ccccc1F ZINC000020452123 212130738 /nfs/dbraw/zinc/13/07/38/212130738.db2.gz JPHGAGROYYVGLI-SFHVURJKSA-N 1 2 344.430 2.600 50 0 EFAALO CN1CC[N@H+](Cc2cccc(Oc3ccccc3)c2)C[C@@H]1CCO ZINC000020449285 212129856 /nfs/dbraw/zinc/12/98/56/212129856.db2.gz QHQUVBBQQAHIMH-SFHVURJKSA-N 1 2 326.440 2.977 50 0 EFAALO CN1CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C[C@@H]1CCO ZINC000020449285 212129858 /nfs/dbraw/zinc/12/98/58/212129858.db2.gz QHQUVBBQQAHIMH-SFHVURJKSA-N 1 2 326.440 2.977 50 0 EFAALO CCc1nc2c3ccccc3oc2c(NCC[NH+]2CCOCC2)n1 ZINC000020440107 212128799 /nfs/dbraw/zinc/12/87/99/212128799.db2.gz SWSPXXAOOAGWMC-UHFFFAOYSA-N 1 2 326.400 2.683 50 0 EFAALO CC[C@H](O)CNc1nc(SC)nc2sc3c(c21)CC[N@H+](C)C3 ZINC000020358670 212122184 /nfs/dbraw/zinc/12/21/84/212122184.db2.gz PKSJCVCCSZSDHK-VIFPVBQESA-N 1 2 338.502 2.584 50 0 EFAALO CC[C@H](O)CNc1nc(SC)nc2sc3c(c21)CC[N@@H+](C)C3 ZINC000020358670 212122185 /nfs/dbraw/zinc/12/21/85/212122185.db2.gz PKSJCVCCSZSDHK-VIFPVBQESA-N 1 2 338.502 2.584 50 0 EFAALO CCn1c2ccccc2n(C[C@H](O)COc2cccc(C)c2)c1=[NH2+] ZINC000020292560 212116318 /nfs/dbraw/zinc/11/63/18/212116318.db2.gz RNYVUHSERNFCAA-HNNXBMFYSA-N 1 2 325.412 2.690 50 0 EFAALO COc1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019922539 212084991 /nfs/dbraw/zinc/08/49/91/212084991.db2.gz LOVIZSHSRHWRKN-UHFFFAOYSA-N 1 2 326.396 2.780 50 0 EFAALO O=C(NCC[NH+]1CCOCC1)c1ccccc1Oc1ccccc1 ZINC000019863491 212077023 /nfs/dbraw/zinc/07/70/23/212077023.db2.gz AINVUHXHKFLIQM-UHFFFAOYSA-N 1 2 326.396 2.541 50 0 EFAALO CCOc1cc(CN2CC[NH+](Cc3cccnc3)CC2)ccc1OC ZINC000019853043 212076024 /nfs/dbraw/zinc/07/60/24/212076024.db2.gz PICCHFXKZDCGGH-UHFFFAOYSA-N 1 2 341.455 2.807 50 0 EFAALO CCOc1cc(C[NH+]2CCN(Cc3cccnc3)CC2)ccc1OC ZINC000019853043 212076027 /nfs/dbraw/zinc/07/60/27/212076027.db2.gz PICCHFXKZDCGGH-UHFFFAOYSA-N 1 2 341.455 2.807 50 0 EFAALO CC(=O)c1ccc(N2C(=O)C[C@H]([N@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000019809238 212070850 /nfs/dbraw/zinc/07/08/50/212070850.db2.gz HPRGQJCWCGCTIM-SFHVURJKSA-N 1 2 336.391 2.653 50 0 EFAALO CC(=O)c1ccc(N2C(=O)C[C@H]([N@@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000019809238 212070852 /nfs/dbraw/zinc/07/08/52/212070852.db2.gz HPRGQJCWCGCTIM-SFHVURJKSA-N 1 2 336.391 2.653 50 0 EFAALO CCOc1ccc2[nH]c(C)c(C[NH+]3CCN(CC)CC3)c(=O)c2c1 ZINC000019791990 212067912 /nfs/dbraw/zinc/06/79/12/212067912.db2.gz HJHREIVXNSLCQG-UHFFFAOYSA-N 1 2 329.444 2.785 50 0 EFAALO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)c1nc(-c2cc(Cl)ccc2C)no1 ZINC000019792884 212067568 /nfs/dbraw/zinc/06/75/68/212067568.db2.gz FMBKZRJFPCTVKP-AWEZNQCLSA-N 1 2 345.790 2.841 50 0 EFAALO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)c1nc(-c2cc(Cl)ccc2C)no1 ZINC000019792884 212067570 /nfs/dbraw/zinc/06/75/70/212067570.db2.gz FMBKZRJFPCTVKP-AWEZNQCLSA-N 1 2 345.790 2.841 50 0 EFAALO O=C(c1ccccc1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019774010 212064428 /nfs/dbraw/zinc/06/44/28/212064428.db2.gz QWEXXKPRSUDXFP-UHFFFAOYSA-N 1 2 342.370 2.512 50 0 EFAALO CCCn1c2ccccc2n(C[C@@H](O)COc2ccccc2)c1=[NH2+] ZINC000019757591 212062397 /nfs/dbraw/zinc/06/23/97/212062397.db2.gz QTDOBONYIRTGJX-OAHLLOKOSA-N 1 2 325.412 2.772 50 0 EFAALO COc1cc(C[NH+]2CCN(C=O)CC2)ccc1OCc1ccccc1 ZINC000019633124 212053464 /nfs/dbraw/zinc/05/34/64/212053464.db2.gz ZHUYOAGSGMMEGP-UHFFFAOYSA-N 1 2 340.423 2.548 50 0 EFAALO O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019620084 212051900 /nfs/dbraw/zinc/05/19/00/212051900.db2.gz YQZSTNKUWWDODR-UHFFFAOYSA-N 1 2 342.370 2.512 50 0 EFAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000019553150 212041282 /nfs/dbraw/zinc/04/12/82/212041282.db2.gz ZSBFKNLOJVAEHQ-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 biogenic EFAALO O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C[NH+]1CCCCC1 ZINC000019201882 212004816 /nfs/dbraw/zinc/00/48/16/212004816.db2.gz VHSVSGAXQVPWMA-OQLLNIDSSA-N 1 2 346.408 2.895 50 0 EFAALO Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1C[NH+]1CCOCC1 ZINC000019201227 212003976 /nfs/dbraw/zinc/00/39/76/212003976.db2.gz YJOYABBIFQPBAD-UHFFFAOYSA-N 1 2 326.318 2.688 50 0 EFAALO COc1cccc(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000019145981 212001840 /nfs/dbraw/zinc/00/18/40/212001840.db2.gz IHDRPHXEVRRZHO-IBGZPJMESA-N 1 2 335.407 2.992 50 0 EFAALO Cn1c(C(=O)N2CC[NH+](CCc3ccccn3)CC2)cc2ccccc21 ZINC000079484450 217231733 /nfs/dbraw/zinc/23/17/33/217231733.db2.gz MLMJRTIMCHLOSZ-UHFFFAOYSA-N 1 2 348.450 2.574 50 0 EFAALO Cc1cc(=O)c(O)c(CN2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000079489864 217232482 /nfs/dbraw/zinc/23/24/82/217232482.db2.gz JFWNHMBVRYCJHS-UHFFFAOYSA-N 1 2 348.830 2.625 50 0 EFAALO CCC(CC)C(=O)NC[C@@H](C)Oc1cccc(C[NH+]2CCOCC2)c1 ZINC000014973762 211782163 /nfs/dbraw/zinc/78/21/63/211782163.db2.gz YSHXTAHFDOEIAM-MRXNPFEDSA-N 1 2 348.487 2.839 50 0 EFAALO O=C(c1cccnn1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082139124 217477141 /nfs/dbraw/zinc/47/71/41/217477141.db2.gz JSIGGFDZSRIJFE-KRWDZBQOSA-N 1 2 347.422 2.741 50 0 EFAALO Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc(-c2cccc(N)[nH+]2)cc1 ZINC000426386477 247272402 /nfs/dbraw/zinc/27/24/02/247272402.db2.gz USXVZRACZSWJPD-UHFFFAOYSA-N 1 2 349.438 2.985 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@H]1CCCO1 ZINC000012473132 211390681 /nfs/dbraw/zinc/39/06/81/211390681.db2.gz BDPRHPYGRWOBSG-QGZVFWFLSA-N 1 2 325.412 2.513 50 0 EFAALO CCCc1noc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)n1 ZINC000012021405 211280268 /nfs/dbraw/zinc/28/02/68/211280268.db2.gz YRAODXPHRZEZDO-KRWDZBQOSA-N 1 2 329.444 2.838 50 0 EFAALO O=C(c1ccncc1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091390841 218000163 /nfs/dbraw/zinc/00/01/63/218000163.db2.gz ONEPEFWRZMJBPR-UHFFFAOYSA-N 1 2 347.422 2.741 50 0 EFAALO COc1ccc2c(cc(C(=O)N[C@@H](c3[nH+]ccn3C)C3CC3)n2C)c1 ZINC000091616964 218032055 /nfs/dbraw/zinc/03/20/55/218032055.db2.gz OHKLJESKVUVWPR-QGZVFWFLSA-N 1 2 338.411 2.802 50 0 EFAALO O=C(c1ccncc1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091624562 218032984 /nfs/dbraw/zinc/03/29/84/218032984.db2.gz DYOSVTHJGWQJCI-QGZVFWFLSA-N 1 2 347.422 2.741 50 0 EFAALO O=C(CCc1cc(Cl)no1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000091621263 218033060 /nfs/dbraw/zinc/03/30/60/218033060.db2.gz FWUMOZHPOSDFEV-CYBMUJFWSA-N 1 2 336.823 2.929 50 0 EFAALO O=c1cc(C[NH2+]Cc2noc(-c3ccco3)n2)[nH]c2c(F)cccc12 ZINC000091526122 218016544 /nfs/dbraw/zinc/01/65/44/218016544.db2.gz ZLUICNFATIFISP-UHFFFAOYSA-N 1 2 340.314 2.600 50 0 EFAALO CSCCC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091563362 218022145 /nfs/dbraw/zinc/02/21/45/218022145.db2.gz NHYOHRFRLMIEFZ-INIZCTEOSA-N 1 2 344.484 2.786 50 0 EFAALO CN(Cc1ccc2nonc2c1)C(=O)Cn1cc[nH+]c1-c1ccccc1 ZINC000091562931 218022552 /nfs/dbraw/zinc/02/25/52/218022552.db2.gz IDZRTVRUIMLOKC-UHFFFAOYSA-N 1 2 347.378 2.745 50 0 EFAALO O=C(C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1)c1ccco1 ZINC000091586731 218025829 /nfs/dbraw/zinc/02/58/29/218025829.db2.gz ZITINVLKHGYRKU-UHFFFAOYSA-N 1 2 341.411 2.865 50 0 EFAALO CC(C)NC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091594556 218028358 /nfs/dbraw/zinc/02/83/58/218028358.db2.gz AIRSPLRUQPTPFD-OAHLLOKOSA-N 1 2 327.432 2.624 50 0 EFAALO COCC[C@]1(CO)CCC[N@H+](Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000091626303 218035897 /nfs/dbraw/zinc/03/58/97/218035897.db2.gz UWIUQWSGKOVIMX-LJQANCHMSA-N 1 2 335.492 2.753 50 0 EFAALO COCC[C@]1(CO)CCC[N@@H+](Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000091626303 218035901 /nfs/dbraw/zinc/03/59/01/218035901.db2.gz UWIUQWSGKOVIMX-LJQANCHMSA-N 1 2 335.492 2.753 50 0 EFAALO C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2c[nH+]c[nH]2)C1 ZINC000091651000 218040253 /nfs/dbraw/zinc/04/02/53/218040253.db2.gz NDHPKJRMNKWYOJ-LJQANCHMSA-N 1 2 341.411 2.552 50 0 EFAALO C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2c[nH]c[nH+]2)C1 ZINC000091651000 218040256 /nfs/dbraw/zinc/04/02/56/218040256.db2.gz NDHPKJRMNKWYOJ-LJQANCHMSA-N 1 2 341.411 2.552 50 0 EFAALO CSCCC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091664300 218042767 /nfs/dbraw/zinc/04/27/67/218042767.db2.gz NFEYQRWQFFJHRG-HNNXBMFYSA-N 1 2 344.484 2.786 50 0 EFAALO COCC[N@@H+]1CC(=O)N(c2ccc(C)cc2)C[C@@H]1Cc1ccccc1 ZINC000091726243 218055106 /nfs/dbraw/zinc/05/51/06/218055106.db2.gz XPJBAAISMILDQP-FQEVSTJZSA-N 1 2 338.451 2.901 50 0 EFAALO COCC[N@H+]1CC(=O)N(c2ccc(C)cc2)C[C@@H]1Cc1ccccc1 ZINC000091726243 218055109 /nfs/dbraw/zinc/05/51/09/218055109.db2.gz XPJBAAISMILDQP-FQEVSTJZSA-N 1 2 338.451 2.901 50 0 EFAALO CN(C)c1ccc(CCNC(=O)[C@@H](c2ccccc2F)[NH+](C)C)cc1 ZINC000091746192 218058411 /nfs/dbraw/zinc/05/84/11/218058411.db2.gz FSZJNLWZUYYKNU-LJQANCHMSA-N 1 2 343.446 2.853 50 0 EFAALO CCn1nc(C(C)C)cc1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000091942996 218092117 /nfs/dbraw/zinc/09/21/17/218092117.db2.gz IXCLEWKYSKFBOP-UHFFFAOYSA-N 1 2 325.416 2.913 50 0 EFAALO O=C1[C@H]2CC[C@H](CN(c3cc[nH+]cc3F)C2)N1Cc1ccccc1 ZINC000091846253 218075962 /nfs/dbraw/zinc/07/59/62/218075962.db2.gz IFSQEHKHOGJTJR-JKSUJKDBSA-N 1 2 325.387 2.848 50 0 EFAALO COc1nc2c(cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)CCC2 ZINC000091858519 218078591 /nfs/dbraw/zinc/07/85/91/218078591.db2.gz LYOHQTHRBTXMTL-MRXNPFEDSA-N 1 2 342.443 2.620 50 0 EFAALO Cn1cc[nH+]c1C1CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000091998066 218101552 /nfs/dbraw/zinc/10/15/52/218101552.db2.gz KAKQHTFWWZQGGG-UHFFFAOYSA-N 1 2 335.411 2.830 50 0 EFAALO Cc1cnn([C@H](C)C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000092002610 218101886 /nfs/dbraw/zinc/10/18/86/218101886.db2.gz XYCSDEVHKIFOHF-OAHLLOKOSA-N 1 2 346.862 2.750 50 0 EFAALO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1cc(-c2ccco2)on1 ZINC000095354881 218287685 /nfs/dbraw/zinc/28/76/85/218287685.db2.gz MEYISSMVHQDQTE-INIZCTEOSA-N 1 2 337.379 2.608 50 0 EFAALO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1cc(-c2ccco2)on1 ZINC000095354881 218287688 /nfs/dbraw/zinc/28/76/88/218287688.db2.gz MEYISSMVHQDQTE-INIZCTEOSA-N 1 2 337.379 2.608 50 0 EFAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCn2cccn2)C1 ZINC000095360702 218292991 /nfs/dbraw/zinc/29/29/91/218292991.db2.gz VRIYCKZBWATACQ-INIZCTEOSA-N 1 2 329.448 2.676 50 0 EFAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)NCCc1cn[nH]c1 ZINC000095358799 218291854 /nfs/dbraw/zinc/29/18/54/218291854.db2.gz IUIXNEOPZXRFLI-HNNXBMFYSA-N 1 2 325.416 2.632 50 0 EFAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000095366636 218298850 /nfs/dbraw/zinc/29/88/50/218298850.db2.gz XOZQGBIEGIHQNN-KRWDZBQOSA-N 1 2 343.475 2.756 50 0 EFAALO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2nccs2)C1 ZINC000095369656 218303293 /nfs/dbraw/zinc/30/32/93/218303293.db2.gz ZFYQQLBAVFXGOM-GDBMZVCRSA-N 1 2 327.453 2.880 50 0 EFAALO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2nccs2)C1 ZINC000095369656 218303296 /nfs/dbraw/zinc/30/32/96/218303296.db2.gz ZFYQQLBAVFXGOM-GDBMZVCRSA-N 1 2 327.453 2.880 50 0 EFAALO CCc1nnsc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C(C)C)C1 ZINC000095390467 218321612 /nfs/dbraw/zinc/32/16/12/218321612.db2.gz PQYPLCREFTZZPH-GFCCVEGCSA-N 1 2 333.461 2.898 50 0 EFAALO Cc1ccccc1[C@@H](C(=O)N(C)Cc1cc(C2CC2)[nH]n1)[NH+](C)C ZINC000095390654 218322574 /nfs/dbraw/zinc/32/25/74/218322574.db2.gz GFXARXYWBRDVNZ-SFHVURJKSA-N 1 2 326.444 2.857 50 0 EFAALO S=C(NCc1ccco1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000005060951 210380146 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473291175 /nfs/dbraw/zinc/29/11/75/473291175.db2.gz TVZZYTHAKQTYAP-UHFFFAOYSA-N 1 2 336.395 2.721 50 0 EFAALO COc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(F)c1F ZINC000082119912 473292047 /nfs/dbraw/zinc/29/20/47/473292047.db2.gz FXUYNWNBXKTTSY-LLVKDONJSA-N 1 2 335.354 2.727 50 0 EFAALO Cn1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000082120947 473292086 /nfs/dbraw/zinc/29/20/86/473292086.db2.gz LNZGTLBTMHCVLL-KRWDZBQOSA-N 1 2 349.438 2.685 50 0 EFAALO CSc1ccccc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000082138307 473296054 /nfs/dbraw/zinc/29/60/54/473296054.db2.gz UXRDTPVCNRCBRR-OAHLLOKOSA-N 1 2 334.485 2.735 50 0 EFAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccn(C(C)(C)C)c2)CC1 ZINC000082161809 473297487 /nfs/dbraw/zinc/29/74/87/473297487.db2.gz OPTKAOXMHXCNCP-UHFFFAOYSA-N 1 2 340.471 2.905 50 0 EFAALO O=C([O-])[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@@H+](Cc1ccc(Cl)o1)C2 ZINC000096136016 473310802 /nfs/dbraw/zinc/31/08/02/473310802.db2.gz JNUDRBQSMHWDHW-SJKOYZFVSA-N 1 2 338.835 2.694 50 0 EFAALO O=C([O-])[C@]12C[NH+](C3CCCC3)C[C@H]1C[N@H+](Cc1ccc(Cl)o1)C2 ZINC000096136016 473310806 /nfs/dbraw/zinc/31/08/06/473310806.db2.gz JNUDRBQSMHWDHW-SJKOYZFVSA-N 1 2 338.835 2.694 50 0 EFAALO O=C([O-])[C@@]12C[NH+](Cc3ccc(Cl)o3)C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096136016 473310816 /nfs/dbraw/zinc/31/08/16/473310816.db2.gz JNUDRBQSMHWDHW-SJKOYZFVSA-N 1 2 338.835 2.694 50 0 EFAALO O=C([O-])[C@@]12C[NH+](Cc3ccc(Cl)o3)C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096136016 473310820 /nfs/dbraw/zinc/31/08/20/473310820.db2.gz JNUDRBQSMHWDHW-SJKOYZFVSA-N 1 2 338.835 2.694 50 0 EFAALO O=C([O-])[C@]12C[NH+](Cc3ccc(Cl)o3)C[C@H]1C[N@@H+](CC1CCC1)C2 ZINC000096140986 473312933 /nfs/dbraw/zinc/31/29/33/473312933.db2.gz CCWQWUQPHOIVHH-CXAGYDPISA-N 1 2 338.835 2.552 50 0 EFAALO O=C([O-])[C@]12C[NH+](Cc3ccc(Cl)o3)C[C@H]1C[N@H+](CC1CCC1)C2 ZINC000096140986 473312936 /nfs/dbraw/zinc/31/29/36/473312936.db2.gz CCWQWUQPHOIVHH-CXAGYDPISA-N 1 2 338.835 2.552 50 0 EFAALO O=C([O-])[C@@]12C[NH+](CC3CCC3)C[C@@H]1C[N@H+](Cc1ccc(Cl)o1)C2 ZINC000096140986 473312939 /nfs/dbraw/zinc/31/29/39/473312939.db2.gz CCWQWUQPHOIVHH-CXAGYDPISA-N 1 2 338.835 2.552 50 0 EFAALO O=C([O-])[C@@]12C[NH+](CC3CCC3)C[C@@H]1C[N@@H+](Cc1ccc(Cl)o1)C2 ZINC000096140986 473312940 /nfs/dbraw/zinc/31/29/40/473312940.db2.gz CCWQWUQPHOIVHH-CXAGYDPISA-N 1 2 338.835 2.552 50 0 EFAALO CC(C)c1nc([C@H]2NCCc3[nH+]c[nH]c32)n(CCc2ccccc2)n1 ZINC000096140046 473313202 /nfs/dbraw/zinc/31/32/02/473313202.db2.gz VRVURFKXJPTZAM-KRWDZBQOSA-N 1 2 336.443 2.602 50 0 EFAALO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000096151192 473316945 /nfs/dbraw/zinc/31/69/45/473316945.db2.gz VCCSJHVYRIRJRP-UHFFFAOYSA-N 1 2 349.862 2.970 50 0 EFAALO OCc1csc(N2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000096165743 473322011 /nfs/dbraw/zinc/32/20/11/473322011.db2.gz QXOBVJSZPUVROG-GFCCVEGCSA-N 1 2 328.441 2.971 50 0 EFAALO Cc1ccc(-c2noc(C[NH+]3CCN(c4ccccn4)CC3)n2)cc1 ZINC000000203405 471334192 /nfs/dbraw/zinc/33/41/92/471334192.db2.gz QNIPNJYTCQTSJS-UHFFFAOYSA-N 1 2 335.411 2.762 50 0 EFAALO Cc1ccc2n(n1)c(=O)c(Cc1ccccc1)c(O)[n+]2-c1ccccc1 ZINC000000344035 471349879 /nfs/dbraw/zinc/34/98/79/471349879.db2.gz ZKPQESMEXKSPBT-UHFFFAOYSA-O 1 2 344.394 2.576 50 0 EFAALO COc1ccc(Br)cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000000367638 471352050 /nfs/dbraw/zinc/35/20/50/471352050.db2.gz ROQJIZDIZRZYMY-UHFFFAOYSA-N 1 2 343.202 2.654 50 0 EFAALO Cc1cc(C)c2c(nn3c2nc(C)cc3NCCCn2cc[nH+]c2)n1 ZINC000002443067 471408467 /nfs/dbraw/zinc/40/84/67/471408467.db2.gz QFYDYEWOLWUWAN-UHFFFAOYSA-N 1 2 335.415 2.901 50 0 EFAALO COc1ccc(CCC(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000002960985 471429175 /nfs/dbraw/zinc/42/91/75/471429175.db2.gz LPGWJEKWRMJHHF-UHFFFAOYSA-N 1 2 337.423 2.943 50 0 EFAALO C[C@H]1CN(c2nc3c(cnn3C)c(NC3CCCCC3)[nH+]2)C[C@H](C)O1 ZINC000004374921 471464593 /nfs/dbraw/zinc/46/45/93/471464593.db2.gz PMWADTFGLDUCML-STQMWFEESA-N 1 2 344.463 2.722 50 0 EFAALO O=C1N(C[NH+]2CCCCC2)c2ccccc2C12O[C@H]1CCCC[C@@H]1O2 ZINC000004717578 471472150 /nfs/dbraw/zinc/47/21/50/471472150.db2.gz ZEWKAUOVAMQTRW-ROUUACIJSA-N 1 2 342.439 2.987 50 0 EFAALO Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000004777197 471474968 /nfs/dbraw/zinc/47/49/68/471474968.db2.gz YRIOCYIUDSZLKK-INIZCTEOSA-N 1 2 325.412 2.506 50 0 EFAALO CCSc1nc2c(n1C)CC[N@H+](C[C@H](O)c1ccc(OC)cc1)C2 ZINC000005285491 471497890 /nfs/dbraw/zinc/49/78/90/471497890.db2.gz DTFUCMCRPMNKIR-KRWDZBQOSA-N 1 2 347.484 2.632 50 0 EFAALO CCSc1nc2c(n1C)CC[N@@H+](C[C@H](O)c1ccc(OC)cc1)C2 ZINC000005285491 471497892 /nfs/dbraw/zinc/49/78/92/471497892.db2.gz DTFUCMCRPMNKIR-KRWDZBQOSA-N 1 2 347.484 2.632 50 0 EFAALO c1ccc(Cn2c3ccccc3[nH+]c2NCCN2CCOCC2)cc1 ZINC000005286362 471497935 /nfs/dbraw/zinc/49/79/35/471497935.db2.gz BJQXCGXBEZTQDQ-UHFFFAOYSA-N 1 2 336.439 2.829 50 0 EFAALO CCOc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000006699834 471561366 /nfs/dbraw/zinc/56/13/66/471561366.db2.gz JWKJTNMXHDIBKT-UHFFFAOYSA-N 1 2 326.400 2.834 50 0 EFAALO COc1ccc(C)cc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000006730815 471563242 /nfs/dbraw/zinc/56/32/42/471563242.db2.gz VSOMPGYQCLDATE-UHFFFAOYSA-N 1 2 329.400 2.946 50 0 EFAALO CCCOc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000013745166 471842350 /nfs/dbraw/zinc/84/23/50/471842350.db2.gz HZWBWYMGIJVJJA-UHFFFAOYSA-N 1 2 325.412 2.833 50 0 EFAALO O=C(Nc1ccc(Cl)cc1)[C@H]1C=C(O)NC(Nc2ccccc2)=[NH+]1 ZINC000014606962 471875499 /nfs/dbraw/zinc/87/54/99/471875499.db2.gz IQJVPECDEKDAQC-CQSZACIVSA-N 1 2 342.786 2.635 50 0 EFAALO COCc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)o1 ZINC000015067863 471887337 /nfs/dbraw/zinc/88/73/37/471887337.db2.gz BTAJWRKJSRDMLA-OAHLLOKOSA-N 1 2 346.402 2.960 50 0 EFAALO COCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)o1 ZINC000015067863 471887343 /nfs/dbraw/zinc/88/73/43/471887343.db2.gz BTAJWRKJSRDMLA-OAHLLOKOSA-N 1 2 346.402 2.960 50 0 EFAALO CCC(=O)c1ccccc1OCCOCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489305 471939005 /nfs/dbraw/zinc/93/90/05/471939005.db2.gz FEWGUZMNCJGGLQ-IYBDPMFKSA-N 1 2 335.444 2.784 50 0 EFAALO CCC(=O)c1ccccc1OCCOCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489305 471939010 /nfs/dbraw/zinc/93/90/10/471939010.db2.gz FEWGUZMNCJGGLQ-IYBDPMFKSA-N 1 2 335.444 2.784 50 0 EFAALO COc1ccc2[nH]c(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2c1 ZINC000018218026 471973765 /nfs/dbraw/zinc/97/37/65/471973765.db2.gz KJOFLBKLCDYHPI-UHFFFAOYSA-N 1 2 336.395 2.534 50 0 EFAALO CC(C)c1nc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cs1 ZINC000019812254 471984244 /nfs/dbraw/zinc/98/42/44/471984244.db2.gz HINGZNBWEQPGTM-OAHLLOKOSA-N 1 2 334.489 2.946 50 0 EFAALO Cc1ccc(S(=O)(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019881258 471986153 /nfs/dbraw/zinc/98/61/53/471986153.db2.gz XNXUCERPIWMKNF-UHFFFAOYSA-N 1 2 344.480 2.591 50 0 EFAALO Nc1[nH]nc2nc(N3CCCC3)c3c(c12)CC[N@@H+](C1CCCCC1)C3 ZINC000020548150 471990799 /nfs/dbraw/zinc/99/07/99/471990799.db2.gz SZVJRQJTHUQKGM-UHFFFAOYSA-N 1 2 340.475 2.831 50 0 EFAALO Nc1[nH]nc2nc(N3CCCC3)c3c(c12)CC[N@H+](C1CCCCC1)C3 ZINC000020548150 471990810 /nfs/dbraw/zinc/99/08/10/471990810.db2.gz SZVJRQJTHUQKGM-UHFFFAOYSA-N 1 2 340.475 2.831 50 0 EFAALO Cc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@H+](C)CC5)o1 ZINC000020677897 471992028 /nfs/dbraw/zinc/99/20/28/471992028.db2.gz XAHNWXNCYJSJTL-UHFFFAOYSA-N 1 2 325.397 2.895 50 0 EFAALO Cc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@@H+](C)CC5)o1 ZINC000020677897 471992033 /nfs/dbraw/zinc/99/20/33/471992033.db2.gz XAHNWXNCYJSJTL-UHFFFAOYSA-N 1 2 325.397 2.895 50 0 EFAALO CCCCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C ZINC000034778572 471992101 /nfs/dbraw/zinc/99/21/01/471992101.db2.gz HDMMIMVGHUYUEC-UHFFFAOYSA-N 1 2 340.489 2.500 50 0 EFAALO Cc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCOCC2)cc1 ZINC000023973503 472040991 /nfs/dbraw/zinc/04/09/91/472040991.db2.gz HOWAGXDRBDUMFW-LJQANCHMSA-N 1 2 342.414 2.937 50 0 EFAALO COc1cccc(C[C@]2(CO)CCCN(c3nc(C)[nH+]cc3C)C2)c1 ZINC000067650134 472066952 /nfs/dbraw/zinc/06/69/52/472066952.db2.gz WYEJMJRDYGPOAY-HXUWFJFHSA-N 1 2 341.455 2.924 50 0 EFAALO Nc1cc(N2CCC(CO)(CCCc3ccccc3)CC2)[nH+]cn1 ZINC000067674674 472069929 /nfs/dbraw/zinc/06/99/29/472069929.db2.gz TZKJNPFKDBBYGP-UHFFFAOYSA-N 1 2 326.444 2.661 50 0 EFAALO O=C(Nc1cnc(-n2cc[nH+]c2)nc1)c1cccc(C(F)(F)F)c1 ZINC000085555476 472256091 /nfs/dbraw/zinc/25/60/91/472256091.db2.gz PXMUPRLIEZUKFX-UHFFFAOYSA-N 1 2 333.273 2.933 50 0 EFAALO CCCc1nnsc1C(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043975751 472277099 /nfs/dbraw/zinc/27/70/99/472277099.db2.gz VAYULZYTVVGNPG-UHFFFAOYSA-N 1 2 345.472 2.532 50 0 EFAALO O=C(c1ccccc1-n1cccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000031809584 472396817 /nfs/dbraw/zinc/39/68/17/472396817.db2.gz ATLJAHZXVKQFEZ-UHFFFAOYSA-N 1 2 332.407 2.835 50 0 EFAALO Cc1cc(C)c(NC(=O)CCn2c3ccccc3oc2=O)c(C)[nH+]1 ZINC000097040299 472421959 /nfs/dbraw/zinc/42/19/59/472421959.db2.gz PKDUELYSBDUKAE-UHFFFAOYSA-N 1 2 325.368 2.944 50 0 EFAALO Cc1cccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)n1 ZINC000076922189 472424672 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COc1ccc2[nH]c(Cn3cnc4sc(C)cc4c3=O)[nH+]c2c1 ZINC000032597685 472444997 /nfs/dbraw/zinc/44/49/97/472444997.db2.gz JTAREHVXZKMDBF-UHFFFAOYSA-N 1 2 326.381 2.700 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(-c3ccc(C)cc3)no1)C2 ZINC000097198618 472475184 /nfs/dbraw/zinc/47/51/84/472475184.db2.gz VRQANWNMLUEHAW-HNNXBMFYSA-N 1 2 336.395 2.900 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CCOc1ccc(C)c(C)c1)C2 ZINC000097198295 472475556 /nfs/dbraw/zinc/47/55/56/472475556.db2.gz UDDCEBOMTGPFEV-MRXNPFEDSA-N 1 2 327.428 2.708 50 0 EFAALO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000097200148 472477848 /nfs/dbraw/zinc/47/78/48/472477848.db2.gz WGGWCLVALBXBDG-WBVHZDCISA-N 1 2 348.468 2.573 50 0 EFAALO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000097200148 472477858 /nfs/dbraw/zinc/47/78/58/472477858.db2.gz WGGWCLVALBXBDG-WBVHZDCISA-N 1 2 348.468 2.573 50 0 EFAALO c1cn(CC2(c3nc([C@@H]4CCOC4)nn3-c3ccccc3)CC2)c[nH+]1 ZINC000097475549 472498820 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/nfs/dbraw/zinc/05/33/54/216053354.db2.gz IJOKNDWEUOPSFT-UHFFFAOYSA-N 1 2 348.454 2.895 50 0 EFAALO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cnc(N2CCCC2)nc1 ZINC000072163908 216053356 /nfs/dbraw/zinc/05/33/56/216053356.db2.gz IJOKNDWEUOPSFT-UHFFFAOYSA-N 1 2 348.454 2.895 50 0 EFAALO c1c(C[N@@H+]2CCc3[nH]nc(C4CCC4)c3C2)nnn1-c1ccccc1 ZINC000072170459 216062124 /nfs/dbraw/zinc/06/21/24/216062124.db2.gz YYBJKALRXJCQCG-UHFFFAOYSA-N 1 2 334.427 2.816 50 0 EFAALO c1c(C[N@H+]2CCc3[nH]nc(C4CCC4)c3C2)nnn1-c1ccccc1 ZINC000072170459 216062125 /nfs/dbraw/zinc/06/21/25/216062125.db2.gz YYBJKALRXJCQCG-UHFFFAOYSA-N 1 2 334.427 2.816 50 0 EFAALO c1c(C[N@@H+]2CCc3n[nH]c(C4CCC4)c3C2)nnn1-c1ccccc1 ZINC000072170459 216062129 /nfs/dbraw/zinc/06/21/29/216062129.db2.gz YYBJKALRXJCQCG-UHFFFAOYSA-N 1 2 334.427 2.816 50 0 EFAALO c1c(C[N@H+]2CCc3n[nH]c(C4CCC4)c3C2)nnn1-c1ccccc1 ZINC000072170459 216062132 /nfs/dbraw/zinc/06/21/32/216062132.db2.gz YYBJKALRXJCQCG-UHFFFAOYSA-N 1 2 334.427 2.816 50 0 EFAALO O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1)N1CCCC1 ZINC000072270628 216093105 /nfs/dbraw/zinc/09/31/05/216093105.db2.gz KEIWJERWWKHGBJ-HKUYNNGSSA-N 1 2 338.455 2.953 50 0 EFAALO O=C([C@H](c1ccccc1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1)N1CCCC1 ZINC000072270628 216093106 /nfs/dbraw/zinc/09/31/06/216093106.db2.gz KEIWJERWWKHGBJ-HKUYNNGSSA-N 1 2 338.455 2.953 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(N3CCC(C)=N3)cc1)C2 ZINC000072279011 216106623 /nfs/dbraw/zinc/10/66/23/216106623.db2.gz IEGWXHZAERRPAA-INIZCTEOSA-N 1 2 337.427 2.522 50 0 EFAALO Cc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3[nH]cc(C)[nH+]3)cc2)n1 ZINC000072420115 216208845 /nfs/dbraw/zinc/20/88/45/216208845.db2.gz AEBDCLXUXYWWGJ-UHFFFAOYSA-N 1 2 337.427 2.852 50 0 EFAALO O=C(c1csc(-c2cccnc2)n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072429112 216220187 /nfs/dbraw/zinc/22/01/87/216220187.db2.gz HXECWIUIAGNRAD-UHFFFAOYSA-N 1 2 339.424 2.948 50 0 EFAALO Cc1ccc(C[N@@H+]2CCN(c3ncccc3Cl)C[C@@H]2CCO)o1 ZINC000072476909 216254155 /nfs/dbraw/zinc/25/41/55/216254155.db2.gz NQZJSOYRMGFDAL-AWEZNQCLSA-N 1 2 335.835 2.710 50 0 EFAALO Cc1ccc(C[N@H+]2CCN(c3ncccc3Cl)C[C@@H]2CCO)o1 ZINC000072476909 216254158 /nfs/dbraw/zinc/25/41/58/216254158.db2.gz NQZJSOYRMGFDAL-AWEZNQCLSA-N 1 2 335.835 2.710 50 0 EFAALO Cn1c(C[NH+](C)C)nnc1[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000072478534 216257114 /nfs/dbraw/zinc/25/71/14/216257114.db2.gz JFUSWNPUCFFEDU-MRXNPFEDSA-N 1 2 347.507 2.553 50 0 EFAALO C[C@]1(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCCO1 ZINC000176047461 239299888 /nfs/dbraw/zinc/29/98/88/239299888.db2.gz FQXUKZUIKDUBDH-MVHVFESUSA-N 1 2 343.471 2.596 50 0 EFAALO O=C1CN(Cc2c[nH+]cn2Cc2ccccc2)CCN1C1CCCC1 ZINC000252499182 240307289 /nfs/dbraw/zinc/30/72/89/240307289.db2.gz RWRZXAIPCRWRBK-UHFFFAOYSA-N 1 2 338.455 2.518 50 0 EFAALO Cc1cccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4cccs4)nn32)c1 ZINC000263617386 240387900 /nfs/dbraw/zinc/38/79/00/240387900.db2.gz NMVVLBHXJOBNKT-QGZVFWFLSA-N 1 2 338.436 2.952 50 0 EFAALO Fc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c(F)c1F ZINC000215349893 241120620 /nfs/dbraw/zinc/12/06/20/241120620.db2.gz IVUMFVIRKPDJDF-CQSZACIVSA-N 1 2 328.378 2.791 50 0 EFAALO Fc1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(F)c1F ZINC000215349893 241120623 /nfs/dbraw/zinc/12/06/23/241120623.db2.gz IVUMFVIRKPDJDF-CQSZACIVSA-N 1 2 328.378 2.791 50 0 EFAALO CCNc1nc(C)c(C(=O)NCc2ccc3[nH]c(C)[nH+]c3c2)s1 ZINC000215740904 241144568 /nfs/dbraw/zinc/14/45/68/241144568.db2.gz PVZVVULDKCEFDE-UHFFFAOYSA-N 1 2 329.429 2.998 50 0 EFAALO CCNc1nc(C)c(C(=O)NCc2ccc3[nH+]c(C)[nH]c3c2)s1 ZINC000215740904 241144574 /nfs/dbraw/zinc/14/45/74/241144574.db2.gz PVZVVULDKCEFDE-UHFFFAOYSA-N 1 2 329.429 2.998 50 0 EFAALO CN1C[C@@]2(CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)OC1=O ZINC000216419504 241191867 /nfs/dbraw/zinc/19/18/67/241191867.db2.gz BVVOKXHVRFWQMP-QGZVFWFLSA-N 1 2 329.425 2.837 50 0 EFAALO CN1C[C@@]2(CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)OC1=O ZINC000216419504 241191873 /nfs/dbraw/zinc/19/18/73/241191873.db2.gz BVVOKXHVRFWQMP-QGZVFWFLSA-N 1 2 329.425 2.837 50 0 EFAALO Cc1nnc(CN(C)C(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)o1 ZINC000216532822 241200466 /nfs/dbraw/zinc/20/04/66/241200466.db2.gz VKSFUTBKLNSLCT-KRWDZBQOSA-N 1 2 346.406 2.703 50 0 EFAALO Cc1nc(NCc2noc(-c3cccs3)n2)cc(C2CC(O)C2)[nH+]1 ZINC000218978936 241357867 /nfs/dbraw/zinc/35/78/67/241357867.db2.gz YDEORQWXGGCDJD-UHFFFAOYSA-N 1 2 343.412 2.747 50 0 EFAALO Cc1nc(N2CCC(NC(=O)c3ccoc3)CC2)c2c([nH+]1)CCCC2 ZINC000225740073 242012695 /nfs/dbraw/zinc/01/26/95/242012695.db2.gz MRUSBJNPRQXPPG-UHFFFAOYSA-N 1 2 340.427 2.656 50 0 EFAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)cc1OC ZINC000020998332 212197722 /nfs/dbraw/zinc/19/77/22/212197722.db2.gz BWALEYSZEFGDNV-AWEZNQCLSA-N 1 2 329.400 2.522 50 0 EFAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1OC ZINC000020998332 212197723 /nfs/dbraw/zinc/19/77/23/212197723.db2.gz BWALEYSZEFGDNV-AWEZNQCLSA-N 1 2 329.400 2.522 50 0 EFAALO CNc1nc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cs1 ZINC000243885556 243028209 /nfs/dbraw/zinc/02/82/09/243028209.db2.gz AADDRVUNRVQZFS-QGZVFWFLSA-N 1 2 329.425 2.795 50 0 EFAALO CNc1nc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cs1 ZINC000243885556 243028214 /nfs/dbraw/zinc/02/82/14/243028214.db2.gz AADDRVUNRVQZFS-QGZVFWFLSA-N 1 2 329.425 2.795 50 0 EFAALO O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000243893340 243029157 /nfs/dbraw/zinc/02/91/57/243029157.db2.gz AQADOUZAOCNQMY-LJQANCHMSA-N 1 2 338.455 2.569 50 0 EFAALO O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000243893340 243029164 /nfs/dbraw/zinc/02/91/64/243029164.db2.gz AQADOUZAOCNQMY-LJQANCHMSA-N 1 2 338.455 2.569 50 0 EFAALO COc1c[nH]c(C[N@@H+]2CCN(c3ccccc3OC)C[C@@H]2C)cc1=O ZINC000244619936 243044732 /nfs/dbraw/zinc/04/47/32/243044732.db2.gz FIVFUZOWFXIGFG-AWEZNQCLSA-N 1 2 343.427 2.515 50 0 EFAALO COc1c[nH]c(C[N@H+]2CCN(c3ccccc3OC)C[C@@H]2C)cc1=O ZINC000244619936 243044740 /nfs/dbraw/zinc/04/47/40/243044740.db2.gz FIVFUZOWFXIGFG-AWEZNQCLSA-N 1 2 343.427 2.515 50 0 EFAALO COc1cccc(OC2C[NH+](C[C@H]3COc4ccccc4O3)C2)c1 ZINC000244787555 243080252 /nfs/dbraw/zinc/08/02/52/243080252.db2.gz PZIAYWSFMSHPMG-KRWDZBQOSA-N 1 2 327.380 2.598 50 0 EFAALO O=c1[nH]c(=S)[nH]c(O)c1[C@@H]1[NH2+]CCc2c3cc(Cl)ccc3[nH]c21 ZINC000020759752 212169914 /nfs/dbraw/zinc/16/99/14/212169914.db2.gz JUVBSRQOLFUIMA-LBPRGKRZSA-N 1 2 348.815 2.508 50 0 biogenic EFAALO COc1nccnc1-c1cccc(-c2ccn(Cc3c[nH+]cn3C)n2)c1 ZINC000020637151 212159247 /nfs/dbraw/zinc/15/92/47/212159247.db2.gz YBJIOGYLBFMHGW-UHFFFAOYSA-N 1 2 346.394 2.798 50 0 EFAALO O=C1O[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@@H]2N1Cc1ccccn1 ZINC000020601572 212151191 /nfs/dbraw/zinc/15/11/91/212151191.db2.gz WMXDLAZQHXUPBA-YLXGYYMFSA-N 1 2 335.407 2.800 50 0 EFAALO O=C1O[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@@H]2N1Cc1ccccn1 ZINC000020601572 212151193 /nfs/dbraw/zinc/15/11/93/212151193.db2.gz WMXDLAZQHXUPBA-YLXGYYMFSA-N 1 2 335.407 2.800 50 0 EFAALO CCOC(=O)N1CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000020412470 212127370 /nfs/dbraw/zinc/12/73/70/212127370.db2.gz XFDFQYVXZXVAAA-UHFFFAOYSA-N 1 2 344.411 2.684 50 0 biogenic EFAALO Fc1cccc(C[NH+]2CCN(C(=S)NCc3ccco3)CC2)c1 ZINC000020362786 212122539 /nfs/dbraw/zinc/12/25/39/212122539.db2.gz NJCVXPWFTMUHFG-UHFFFAOYSA-N 1 2 333.432 2.611 50 0 EFAALO CCn1c2ccccc2n(C[C@H](O)COc2ccccc2C)c1=[NH2+] ZINC000020289002 212116613 /nfs/dbraw/zinc/11/66/13/212116613.db2.gz MOXRGWGGTGMNCJ-HNNXBMFYSA-N 1 2 325.412 2.690 50 0 EFAALO COC(=O)c1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000020230758 212113860 /nfs/dbraw/zinc/11/38/60/212113860.db2.gz FVMXNXMOUWFRMQ-UHFFFAOYSA-N 1 2 334.416 2.526 50 0 EFAALO CC(C)=CCN1CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C[C@@H]1CCO ZINC000020208166 212112171 /nfs/dbraw/zinc/11/21/71/212112171.db2.gz IBJBGELAYPTWEZ-IBGZPJMESA-N 1 2 348.535 2.916 50 0 EFAALO CC(C)=CCN1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C[C@@H]1CCO ZINC000020208166 212112174 /nfs/dbraw/zinc/11/21/74/212112174.db2.gz IBJBGELAYPTWEZ-IBGZPJMESA-N 1 2 348.535 2.916 50 0 EFAALO CC[C@@H](C)n1c(=O)c([C@H]2[NH2+]CCc3ccccc32)c(O)[nH]c1=S ZINC000020149730 212106566 /nfs/dbraw/zinc/10/65/66/212106566.db2.gz IVNSGPKXWFKZIV-YGRLFVJLSA-N 1 2 331.441 2.818 50 0 EFAALO CC[C@@H](C)n1c(O)c([C@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=S ZINC000020149730 212106569 /nfs/dbraw/zinc/10/65/69/212106569.db2.gz IVNSGPKXWFKZIV-YGRLFVJLSA-N 1 2 331.441 2.818 50 0 EFAALO CCOC(=O)Cn1c2ccccc2n(Cc2ccccc2F)c1=[NH2+] ZINC000020057939 212098695 /nfs/dbraw/zinc/09/86/95/212098695.db2.gz KNGMPKXLJRYQNI-UHFFFAOYSA-N 1 2 327.359 2.673 50 0 EFAALO O=C(c1c(F)cccc1F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000019924746 212084932 /nfs/dbraw/zinc/08/49/32/212084932.db2.gz GBHDHHSLURDGHH-UHFFFAOYSA-N 1 2 346.377 2.802 50 0 EFAALO Cc1ccc(C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc1 ZINC000019901974 212080861 /nfs/dbraw/zinc/08/08/61/212080861.db2.gz CYSABHHOQKELJF-UHFFFAOYSA-N 1 2 329.488 2.675 50 0 EFAALO COc1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019762370 212062872 /nfs/dbraw/zinc/06/28/72/212062872.db2.gz ZPFCQXDKBQQQGN-UHFFFAOYSA-N 1 2 326.396 2.780 50 0 EFAALO CCCc1cc2c(cc1OC(=O)C[NH3+])occ(-c1ccccn1)c2=O ZINC000019703440 212055457 /nfs/dbraw/zinc/05/54/57/212055457.db2.gz DBJMDBORZIMDNJ-UHFFFAOYSA-N 1 2 338.363 2.672 50 0 biogenic EFAALO CCOc1cc(C[NH+]2CCN(C(=O)CC(C)C)CC2)ccc1OC ZINC000019532033 212038939 /nfs/dbraw/zinc/03/89/39/212038939.db2.gz IBWQKZMBZKRWIN-UHFFFAOYSA-N 1 2 334.460 2.784 50 0 EFAALO Fc1ccccc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019349159 212020021 /nfs/dbraw/zinc/02/00/21/212020021.db2.gz PLKMKTFWFIDGBZ-UHFFFAOYSA-N 1 2 328.387 2.872 50 0 EFAALO Fc1ccccc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019349159 212020024 /nfs/dbraw/zinc/02/00/24/212020024.db2.gz PLKMKTFWFIDGBZ-UHFFFAOYSA-N 1 2 328.387 2.872 50 0 EFAALO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439186 217224345 /nfs/dbraw/zinc/22/43/45/217224345.db2.gz MYKXCNQSXDZLGZ-AWEZNQCLSA-N 1 2 347.463 2.887 50 0 EFAALO CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439186 217224348 /nfs/dbraw/zinc/22/43/48/217224348.db2.gz MYKXCNQSXDZLGZ-AWEZNQCLSA-N 1 2 347.463 2.887 50 0 EFAALO Cc1ccc(CNC(=O)c2cc(Cn3c(C)[nH+]c4ccccc43)n[nH]2)o1 ZINC000015065925 211794749 /nfs/dbraw/zinc/79/47/49/211794749.db2.gz XFSDYSSQGNNSGN-UHFFFAOYSA-N 1 2 349.394 2.948 50 0 EFAALO CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)CCc1[nH]c3cc(C)c(C)cc3[nH+]1)C2 ZINC000426389215 247274721 /nfs/dbraw/zinc/27/47/21/247274721.db2.gz FEFDJUQQYJPDCE-QVDMIQRCSA-N 1 2 341.455 2.996 50 0 EFAALO Cc1cc2c(cc1NC(=O)NCc1c[nH+]cn1CC(C)C)OCCO2 ZINC000426398031 247275639 /nfs/dbraw/zinc/27/56/39/247275639.db2.gz IRDZLBGRAZHSII-UHFFFAOYSA-N 1 2 344.415 2.940 50 0 EFAALO CCn1cc[nH+]c1CN(C)C(=O)c1cccc(-c2ccc(C)nn2)c1 ZINC000426506012 247288822 /nfs/dbraw/zinc/28/88/22/247288822.db2.gz ZMTCEWKUMBTRJF-UHFFFAOYSA-N 1 2 335.411 2.941 50 0 EFAALO Cc1ccn2c(F)c(C(=O)NCc3ccccc3-n3cc[nH+]c3)nc2c1 ZINC000426513653 247290726 /nfs/dbraw/zinc/29/07/26/247290726.db2.gz MRHMKHKOAZJNPG-UHFFFAOYSA-N 1 2 349.369 2.898 50 0 EFAALO O=C(c1ccc[nH]1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091934190 296246417 /nfs/dbraw/zinc/24/64/17/296246417.db2.gz LWQNBSXCBKSCPF-INIZCTEOSA-N 1 2 335.411 2.674 50 0 EFAALO CCc1ocnc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012315649 211345364 /nfs/dbraw/zinc/34/53/64/211345364.db2.gz YMSNUZGFMCLUIS-CQSZACIVSA-N 1 2 331.391 2.771 50 0 EFAALO CCc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012315649 211345370 /nfs/dbraw/zinc/34/53/70/211345370.db2.gz YMSNUZGFMCLUIS-CQSZACIVSA-N 1 2 331.391 2.771 50 0 EFAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cc(C)n[nH]2)C1 ZINC000012297247 211334656 /nfs/dbraw/zinc/33/46/56/211334656.db2.gz AYBYBDRNEZXNOP-CYBMUJFWSA-N 1 2 331.391 2.961 50 0 EFAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC000012297247 211334664 /nfs/dbraw/zinc/33/46/64/211334664.db2.gz AYBYBDRNEZXNOP-CYBMUJFWSA-N 1 2 331.391 2.961 50 0 EFAALO CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000091305086 217991450 /nfs/dbraw/zinc/99/14/50/217991450.db2.gz VEXPTEWTFYSMBT-UHFFFAOYSA-N 1 2 333.351 2.657 50 0 EFAALO Cc1cccn2c(CC(=O)N3CCCN(c4ccccc4)CC3)c[nH+]c12 ZINC000091416430 218001864 /nfs/dbraw/zinc/00/18/64/218001864.db2.gz DKEXMGWWRQPYSP-UHFFFAOYSA-N 1 2 348.450 2.924 50 0 EFAALO CC(C)CC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000011932723 211270410 /nfs/dbraw/zinc/27/04/10/211270410.db2.gz USEBMVKVOOMPNI-CQSZACIVSA-N 1 2 328.416 2.959 50 0 EFAALO CC(C)CC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000011932723 211270413 /nfs/dbraw/zinc/27/04/13/211270413.db2.gz USEBMVKVOOMPNI-CQSZACIVSA-N 1 2 328.416 2.959 50 0 EFAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2cc(C(C)C)on2)CC1 ZINC000091452147 218008321 /nfs/dbraw/zinc/00/83/21/218008321.db2.gz YISGBUXJRHYDPM-UHFFFAOYSA-N 1 2 346.431 2.661 50 0 EFAALO COc1cc2c(cc1C(=O)N1CCC(c3[nH+]ccn3C)CC1)CCC2 ZINC000091505889 218015937 /nfs/dbraw/zinc/01/59/37/218015937.db2.gz BYKACHQFFWGQTB-UHFFFAOYSA-N 1 2 339.439 2.937 50 0 EFAALO CSCCC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091563363 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Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCOCC2)cc1 ZINC000023973523 472040945 /nfs/dbraw/zinc/04/09/45/472040945.db2.gz SRLFTQVKPYSRSG-IBGZPJMESA-N 1 2 342.414 2.937 50 0 EFAALO c1[nH]c2c([nH+]1)CCN(Cc1ccc3c(c1)OCCO3)[C@@H]2c1ccccn1 ZINC000067822157 472094518 /nfs/dbraw/zinc/09/45/18/472094518.db2.gz NIPKPMXWPGRYMI-HXUWFJFHSA-N 1 2 348.406 2.724 50 0 EFAALO COCc1nc(C[NH2+]C2CCN(c3cccc(C)c3C)CC2)no1 ZINC000067851943 472099013 /nfs/dbraw/zinc/09/90/13/472099013.db2.gz FGVACRLEPSIGAY-UHFFFAOYSA-N 1 2 330.432 2.591 50 0 EFAALO Cc1cccc(-c2c[nH]nc2C2CCN(c3cc(N)[nH+]c(N)n3)CC2)c1 ZINC000067868043 472100847 /nfs/dbraw/zinc/10/08/47/472100847.db2.gz DYTDVVQCSAFRCS-UHFFFAOYSA-N 1 2 349.442 2.724 50 0 EFAALO Cc1cccc(-c2c[nH]nc2C2CCN(c3cc(N)nc(N)[nH+]3)CC2)c1 ZINC000067868043 472100853 /nfs/dbraw/zinc/10/08/53/472100853.db2.gz DYTDVVQCSAFRCS-UHFFFAOYSA-N 1 2 349.442 2.724 50 0 EFAALO Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067934841 472111670 /nfs/dbraw/zinc/11/16/70/472111670.db2.gz ZQRNPPQISWKAOR-UHFFFAOYSA-N 1 2 347.728 2.877 50 0 EFAALO O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534561 472152393 /nfs/dbraw/zinc/15/23/93/472152393.db2.gz FNTOJKZQVLWKLE-OAHLLOKOSA-N 1 2 348.406 2.785 50 0 EFAALO O=C(c1cc(-n2cccc2)ccn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085472822 472252213 /nfs/dbraw/zinc/25/22/13/472252213.db2.gz GBUYUNXPOINPOX-UHFFFAOYSA-N 1 2 346.434 2.830 50 0 EFAALO COc1c2c(c(NC(=O)C3CCCCC3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123820 472415308 /nfs/dbraw/zinc/41/53/08/472415308.db2.gz YJMFWMJAWJVYPQ-UHFFFAOYSA-N 1 2 346.427 2.931 50 0 biogenic EFAALO COc1c2c(c(NC(=O)C3CCCCC3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123820 472415317 /nfs/dbraw/zinc/41/53/17/472415317.db2.gz YJMFWMJAWJVYPQ-UHFFFAOYSA-N 1 2 346.427 2.931 50 0 biogenic EFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C)c2Cl)CC1 ZINC000032602270 472446608 /nfs/dbraw/zinc/44/66/08/472446608.db2.gz ADJBGIAVONTZFW-UHFFFAOYSA-N 1 2 337.272 2.628 50 0 EFAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000032624227 472448408 /nfs/dbraw/zinc/44/84/08/472448408.db2.gz VNCMRUDKHUYWJG-UHFFFAOYSA-N 1 2 345.830 2.702 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1csc(-c3ccco3)n1)C2 ZINC000097198196 472474099 /nfs/dbraw/zinc/47/40/99/472474099.db2.gz NIUKLHRVRXXDHJ-GFCCVEGCSA-N 1 2 342.424 2.582 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cnc(OC(C)C)c(Cl)c1)C2 ZINC000097198298 472474522 /nfs/dbraw/zinc/47/45/22/472474522.db2.gz SCZZZTQXPSCBGS-CYBMUJFWSA-N 1 2 348.834 2.772 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(C)nc3cc(F)ccc31)C2 ZINC000097198540 472474822 /nfs/dbraw/zinc/47/48/22/472474822.db2.gz YEYZVAAZTHMPOE-AWEZNQCLSA-N 1 2 338.386 2.932 50 0 EFAALO O=C(NCCCn1nnc2ccccc21)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000097480257 472497767 /nfs/dbraw/zinc/49/77/67/472497767.db2.gz FZXNAXKPZXIBCS-UHFFFAOYSA-N 1 2 346.394 2.642 50 0 EFAALO c1ccc(CCn2nc([C@@H]3CCOC3)nc2C[NH+]2CCCC2)cc1 ZINC000097492431 472498695 /nfs/dbraw/zinc/49/86/95/472498695.db2.gz ZRSDUZWFYURQBJ-QGZVFWFLSA-N 1 2 326.444 2.621 50 0 EFAALO CCc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 ZINC000077319182 472501871 /nfs/dbraw/zinc/50/18/71/472501871.db2.gz QFOKZJNEKZRDNG-IBGZPJMESA-N 1 2 348.491 2.883 50 0 EFAALO CCc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)no1 ZINC000077319182 472501876 /nfs/dbraw/zinc/50/18/76/472501876.db2.gz QFOKZJNEKZRDNG-IBGZPJMESA-N 1 2 348.491 2.883 50 0 EFAALO O=C(c1ccc(SCCO)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077322813 472503653 /nfs/dbraw/zinc/50/36/53/472503653.db2.gz XTGSLFHGSNIQCI-AWEZNQCLSA-N 1 2 331.441 2.514 50 0 EFAALO COc1ccc(OC2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000077322399 472503687 /nfs/dbraw/zinc/50/36/87/472503687.db2.gz AQWWLPCBOVLPPT-HNNXBMFYSA-N 1 2 343.427 2.913 50 0 EFAALO Cc1nnc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)o1 ZINC000077339878 472508139 /nfs/dbraw/zinc/50/81/39/472508139.db2.gz APLAMINHXAYOMB-SFHVURJKSA-N 1 2 334.464 2.629 50 0 EFAALO Cc1nnc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)o1 ZINC000077339878 472508143 /nfs/dbraw/zinc/50/81/43/472508143.db2.gz APLAMINHXAYOMB-SFHVURJKSA-N 1 2 334.464 2.629 50 0 EFAALO CCCC[C@H]1C(=O)N(C)CCN1Cc1c[nH+]c(CC2CCCC2)[nH]1 ZINC000077342282 472508216 /nfs/dbraw/zinc/50/82/16/472508216.db2.gz BHVNWUZGOLOLFB-KRWDZBQOSA-N 1 2 332.492 2.975 50 0 EFAALO CCCC[C@H]1C(=O)N(C)CCN1Cc1c[nH]c(CC2CCCC2)[nH+]1 ZINC000077342282 472508224 /nfs/dbraw/zinc/50/82/24/472508224.db2.gz BHVNWUZGOLOLFB-KRWDZBQOSA-N 1 2 332.492 2.975 50 0 EFAALO NC(=O)c1csc(N2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000077376868 472515419 /nfs/dbraw/zinc/51/54/19/472515419.db2.gz NXXBWDFZOLCKLW-JTQLQIEISA-N 1 2 327.413 2.502 50 0 EFAALO COc1cc(C[NH+]2CCN(c3cccnc3)CC2)cc(Cl)c1O ZINC000077378200 472515958 /nfs/dbraw/zinc/51/59/58/472515958.db2.gz YWNYXHVLQOLIOG-UHFFFAOYSA-N 1 2 333.819 2.771 50 0 EFAALO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1n[nH]c2ccc(OC)cc21 ZINC000077379879 472517023 /nfs/dbraw/zinc/51/70/23/472517023.db2.gz ZZFNHFASLYZFAO-CYBMUJFWSA-N 1 2 331.416 2.879 50 0 EFAALO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1n[nH]c2ccc(OC)cc21 ZINC000077379879 472517026 /nfs/dbraw/zinc/51/70/26/472517026.db2.gz ZZFNHFASLYZFAO-CYBMUJFWSA-N 1 2 331.416 2.879 50 0 EFAALO CCCCN1C[C@@]2(CCC[N@H+](Cc3noc(C4CC4)n3)C2)CCC1=O ZINC000077439168 472526853 /nfs/dbraw/zinc/52/68/53/472526853.db2.gz HTSRFURHEPTLJK-IBGZPJMESA-N 1 2 346.475 2.952 50 0 EFAALO CCCCN1C[C@@]2(CCC[N@@H+](Cc3noc(C4CC4)n3)C2)CCC1=O ZINC000077439168 472526860 /nfs/dbraw/zinc/52/68/60/472526860.db2.gz HTSRFURHEPTLJK-IBGZPJMESA-N 1 2 346.475 2.952 50 0 EFAALO CC(=O)N[C@@H]1C[N@@H+](Cc2nc3ccc(C)c(C)c3[nH]2)C[C@H]1C(C)C ZINC000077503493 472541486 /nfs/dbraw/zinc/54/14/86/472541486.db2.gz UFAABRHZHPXNEF-DOTOQJQBSA-N 1 2 328.460 2.772 50 0 EFAALO CC(=O)N[C@@H]1C[N@H+](Cc2nc3ccc(C)c(C)c3[nH]2)C[C@H]1C(C)C ZINC000077503493 472541489 /nfs/dbraw/zinc/54/14/89/472541489.db2.gz UFAABRHZHPXNEF-DOTOQJQBSA-N 1 2 328.460 2.772 50 0 EFAALO O=C([O-])c1cc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)ccc1O ZINC000077504999 472541556 /nfs/dbraw/zinc/54/15/56/472541556.db2.gz ZKYRCJKPHPSLBE-OAHLLOKOSA-N 1 2 329.400 2.732 50 0 EFAALO O=C([O-])c1cc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)ccc1O ZINC000077504999 472541559 /nfs/dbraw/zinc/54/15/59/472541559.db2.gz ZKYRCJKPHPSLBE-OAHLLOKOSA-N 1 2 329.400 2.732 50 0 EFAALO Cc1cc(=O)c(O)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000071283260 472546651 /nfs/dbraw/zinc/54/66/51/472546651.db2.gz LXUGPTJEHAGIHE-UHFFFAOYSA-N 1 2 334.803 2.629 50 0 EFAALO COc1cccc(SCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000077536620 472550459 /nfs/dbraw/zinc/55/04/59/472550459.db2.gz MGHPGEIDXVQTPO-ZDUSSCGKSA-N 1 2 331.441 2.917 50 0 EFAALO COc1ccc(F)c(-c2nc(C[N@@H+]3CC[C@@H](NC(C)=O)C3)c(C)o2)c1 ZINC000071745950 472555685 /nfs/dbraw/zinc/55/56/85/472555685.db2.gz XEOSKDQUAJWLFU-CYBMUJFWSA-N 1 2 347.390 2.508 50 0 EFAALO COc1ccc(F)c(-c2nc(C[N@H+]3CC[C@@H](NC(C)=O)C3)c(C)o2)c1 ZINC000071745950 472555691 /nfs/dbraw/zinc/55/56/91/472555691.db2.gz XEOSKDQUAJWLFU-CYBMUJFWSA-N 1 2 347.390 2.508 50 0 EFAALO CCn1nc(C)c(CNC(=O)Cc2ccc3[nH]c(C)[nH+]c3c2)c1C ZINC000071747445 472558592 /nfs/dbraw/zinc/55/85/92/472558592.db2.gz BYFHUPPPKASPDA-UHFFFAOYSA-N 1 2 325.416 2.563 50 0 EFAALO CCn1nc(C)c(CNC(=O)Cc2ccc3[nH+]c(C)[nH]c3c2)c1C ZINC000071747445 472558597 /nfs/dbraw/zinc/55/85/97/472558597.db2.gz BYFHUPPPKASPDA-UHFFFAOYSA-N 1 2 325.416 2.563 50 0 EFAALO CC(C)c1nc(Cn2cc[nH+]c2-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000071764866 472563467 /nfs/dbraw/zinc/56/34/67/472563467.db2.gz GFXIJKWIHMPTLV-UHFFFAOYSA-N 1 2 346.412 2.508 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)CCc1ccc([C@H]3C[C@@H]3C)o1)C2 ZINC000072278951 472645920 /nfs/dbraw/zinc/64/59/20/472645920.db2.gz ZKHDDQHQOAJQKG-NOLJZWGESA-N 1 2 327.428 2.972 50 0 EFAALO CC[NH+](CC)Cc1nnc2sc(-c3cccc(N(C)C)c3)nn12 ZINC000061722209 472715522 /nfs/dbraw/zinc/71/55/22/472715522.db2.gz DCFKYOYZFVBATN-UHFFFAOYSA-N 1 2 330.461 2.761 50 0 EFAALO CC[NH+](CC)Cc1nnc2sc(-c3ccc(OC)cc3OC)nn12 ZINC000061722172 472716539 /nfs/dbraw/zinc/71/65/39/472716539.db2.gz VSUGOPPNHHLTHU-UHFFFAOYSA-N 1 2 347.444 2.712 50 0 EFAALO CCOC(=O)C1CC[NH+](CC(=O)c2c[nH]c3ccc(OC)cc23)CC1 ZINC000061942695 472725149 /nfs/dbraw/zinc/72/51/49/472725149.db2.gz LKHOSPJTASUFLB-UHFFFAOYSA-N 1 2 344.411 2.634 50 0 EFAALO C[N@@H+]1CCO[C@H](CNC(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000105279924 472740256 /nfs/dbraw/zinc/74/02/56/472740256.db2.gz MVZSORIDAYFVDV-LJQANCHMSA-N 1 2 345.487 2.514 50 0 EFAALO C[N@H+]1CCO[C@H](CNC(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000105279924 472740260 /nfs/dbraw/zinc/74/02/60/472740260.db2.gz MVZSORIDAYFVDV-LJQANCHMSA-N 1 2 345.487 2.514 50 0 EFAALO Cn1cc[nH+]c1C1CCN(C(=O)NCCc2ccccc2F)CC1 ZINC000091548514 472775689 /nfs/dbraw/zinc/77/56/89/472775689.db2.gz QAELCHYMWABYHX-UHFFFAOYSA-N 1 2 330.407 2.691 50 0 EFAALO CCCC(CCC)C(=O)N1CCC(n2cc(C[NH+](C)C)nn2)CC1 ZINC000048090844 472812438 /nfs/dbraw/zinc/81/24/38/472812438.db2.gz VHELQLGRTYKHMC-UHFFFAOYSA-N 1 2 335.496 2.720 50 0 EFAALO CC[N@H+](Cc1nc(COC)no1)Cc1c(C)cc(C)c(CO)c1C ZINC000063856259 472821266 /nfs/dbraw/zinc/82/12/66/472821266.db2.gz DLLOSKLSCZWFOO-UHFFFAOYSA-N 1 2 333.432 2.656 50 0 EFAALO CC[N@@H+](Cc1nc(COC)no1)Cc1c(C)cc(C)c(CO)c1C ZINC000063856259 472821274 /nfs/dbraw/zinc/82/12/74/472821274.db2.gz DLLOSKLSCZWFOO-UHFFFAOYSA-N 1 2 333.432 2.656 50 0 EFAALO Cc1ccc2[nH+]c(CNc3ncc(C)c(-c4cnn(C)c4)n3)cn2c1 ZINC000063882055 472824643 /nfs/dbraw/zinc/82/46/43/472824643.db2.gz HEPXDJYFRMEJRE-UHFFFAOYSA-N 1 2 333.399 2.754 50 0 EFAALO C[C@H](NC(=O)Cn1c[nH+]c2cc3c(cc21)OCCO3)c1ccccc1 ZINC000064794890 472876114 /nfs/dbraw/zinc/87/61/14/472876114.db2.gz DKSJUJDNXCVTEA-ZDUSSCGKSA-N 1 2 337.379 2.685 50 0 EFAALO CCCCc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000048436117 472877315 /nfs/dbraw/zinc/87/73/15/472877315.db2.gz FJNMEDZOOWXTOL-UHFFFAOYSA-N 1 2 327.428 2.612 50 0 EFAALO C[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000065369907 472927079 /nfs/dbraw/zinc/92/70/79/472927079.db2.gz XOBUXIJWZDNPLQ-CYBMUJFWSA-N 1 2 328.416 2.616 50 0 EFAALO 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Cc1cc(C)n(CCCC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000670444052 547489929 /nfs/dbraw/zinc/48/99/29/547489929.db2.gz NXRUGVGPMRWCFJ-UHFFFAOYSA-N 1 2 337.427 2.782 50 0 EFAALO C[N@H+](CC(=O)NC[C@@]1(c2ccccc2)CC1(C)C)Cc1ccncc1 ZINC000670459238 547493044 /nfs/dbraw/zinc/49/30/44/547493044.db2.gz YCCIMHJJSTUKIF-OAQYLSRUSA-N 1 2 337.467 2.998 50 0 EFAALO C[N@@H+](CC(=O)NC[C@@]1(c2ccccc2)CC1(C)C)Cc1ccncc1 ZINC000670459238 547493050 /nfs/dbraw/zinc/49/30/50/547493050.db2.gz YCCIMHJJSTUKIF-OAQYLSRUSA-N 1 2 337.467 2.998 50 0 EFAALO COCc1noc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)n1 ZINC000670462215 547494177 /nfs/dbraw/zinc/49/41/77/547494177.db2.gz LTWNSWJMQBMVOT-UHFFFAOYSA-N 1 2 337.807 2.913 50 0 EFAALO Cc1cc(C(=O)NCc2c[nH+]cn2CC(C)C)cc2sc(N)nc21 ZINC000821502128 1264963171 /nfs/dbraw/zinc/96/31/71/1264963171.db2.gz KFFSOWREGSRXBI-UHFFFAOYSA-N 1 2 343.456 2.969 50 0 EFAALO Cc1cc(C(=O)NCC2CCN(c3cc[nH+]c(C)n3)CC2)ccc1F ZINC000825282589 1267055875 /nfs/dbraw/zinc/05/58/75/1267055875.db2.gz FYPSRAMFKKHAND-UHFFFAOYSA-N 1 2 342.418 2.879 50 0 EFAALO Nc1[nH+]c(N2CCC[C@@H](c3ccc(Cl)cc3)C2)cc2nncn21 ZINC000825534491 1267106899 /nfs/dbraw/zinc/10/68/99/1267106899.db2.gz SGWLLDJLRUXJLP-GFCCVEGCSA-N 1 2 328.807 2.744 50 0 EFAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1cc(CO)cs1 ZINC000952963561 1284922093 /nfs/dbraw/zinc/92/20/93/1284922093.db2.gz KVNCHUGEZWNDIH-RGDDUWESSA-N 1 2 333.457 2.681 50 0 EFAALO COc1cc(F)ccc1C[N@@H+](Cc1ccncc1)C[C@@H]1CCC(=O)N1 ZINC000952984285 1284982489 /nfs/dbraw/zinc/98/24/89/1284982489.db2.gz YTLCEOFNSGATNV-KRWDZBQOSA-N 1 2 343.402 2.510 50 0 EFAALO COc1cc(F)ccc1C[N@H+](Cc1ccncc1)C[C@@H]1CCC(=O)N1 ZINC000952984285 1284982495 /nfs/dbraw/zinc/98/24/95/1284982495.db2.gz YTLCEOFNSGATNV-KRWDZBQOSA-N 1 2 343.402 2.510 50 0 EFAALO Cn1cncc1C[N@@H+]1CCCN(C(=O)CCCc2cccs2)CC1 ZINC001198053168 1294849283 /nfs/dbraw/zinc/84/92/83/1294849283.db2.gz GHHMOQXOGLGZEI-UHFFFAOYSA-N 1 2 346.500 2.539 50 0 EFAALO Cn1cncc1C[N@H+]1CCCN(C(=O)CCCc2cccs2)CC1 ZINC001198053168 1294849286 /nfs/dbraw/zinc/84/92/86/1294849286.db2.gz GHHMOQXOGLGZEI-UHFFFAOYSA-N 1 2 346.500 2.539 50 0 EFAALO COC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000000619612 1304803833 /nfs/dbraw/zinc/80/38/33/1304803833.db2.gz BTMYXVPFARUFGD-GFCCVEGCSA-N 1 2 337.173 2.633 50 0 EFAALO Cc1cccnc1C[NH+]1CCN(Cc2cc(-c3cccnc3)no2)CC1 ZINC001506418262 1405759822 /nfs/dbraw/zinc/75/98/22/1405759822.db2.gz GSEXWSTWCQZUSD-UHFFFAOYSA-N 1 2 349.438 2.758 50 0 EFAALO c1cc(C[C@@H]2COC[C@@H]2Nc2cc(N3CCCCC3)nc[nH+]2)ccn1 ZINC001704339950 1417911080 /nfs/dbraw/zinc/91/10/80/1417911080.db2.gz RLBABIGPUJALQR-SJORKVTESA-N 1 2 339.443 2.532 50 0 EFAALO c1cc(C[C@@H]2COC[C@@H]2Nc2cc(N3CCCCC3)[nH+]cn2)ccn1 ZINC001704339950 1417911083 /nfs/dbraw/zinc/91/10/83/1417911083.db2.gz RLBABIGPUJALQR-SJORKVTESA-N 1 2 339.443 2.532 50 0 EFAALO c1cc(C[C@@H]2COC[C@H]2Nc2cc(N3CCCCC3)nc[nH+]2)ccn1 ZINC001704339949 1417911288 /nfs/dbraw/zinc/91/12/88/1417911288.db2.gz RLBABIGPUJALQR-IAGOWNOFSA-N 1 2 339.443 2.532 50 0 EFAALO c1cc(C[C@@H]2COC[C@H]2Nc2cc(N3CCCCC3)[nH+]cn2)ccn1 ZINC001704339949 1417911293 /nfs/dbraw/zinc/91/12/93/1417911293.db2.gz RLBABIGPUJALQR-IAGOWNOFSA-N 1 2 339.443 2.532 50 0 EFAALO CC1=CC2(CC[NH+](CCS(=O)(=O)c3ccccc3)CC2)OCC1 ZINC001704342873 1417912588 /nfs/dbraw/zinc/91/25/88/1417912588.db2.gz FEYPIJDNKNDKKS-UHFFFAOYSA-N 1 2 335.469 2.662 50 0 EFAALO C[NH+]1CCN(C(=O)c2ccnc(-c3ccc(-c4cc[nH]n4)cc3)c2)CC1 ZINC000097604261 219040568 /nfs/dbraw/zinc/04/05/68/219040568.db2.gz MYJCKLKIOXJDFV-UHFFFAOYSA-N 1 2 347.422 2.526 50 0 EFAALO C[N@@H+]1CCC[C@H]1c1nc(C2CCOCC2)nn1Cc1ccccc1 ZINC000097638017 219043534 /nfs/dbraw/zinc/04/35/34/219043534.db2.gz UAPWEJURIAPBHO-KRWDZBQOSA-N 1 2 326.444 2.987 50 0 EFAALO C[N@H+]1CCC[C@H]1c1nc(C2CCOCC2)nn1Cc1ccccc1 ZINC000097638017 219043535 /nfs/dbraw/zinc/04/35/35/219043535.db2.gz UAPWEJURIAPBHO-KRWDZBQOSA-N 1 2 326.444 2.987 50 0 EFAALO Cc1nc2cc(C)ccn2c1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000097675452 219046638 /nfs/dbraw/zinc/04/66/38/219046638.db2.gz YJYAOHAHMMZWJZ-HNNXBMFYSA-N 1 2 339.443 2.992 50 0 EFAALO O=C(NCc1ccc(F)c(F)c1)c1cnc(C[NH+]2CCCC2)s1 ZINC000097675451 219047117 /nfs/dbraw/zinc/04/71/17/219047117.db2.gz MAKCKRWLOCIHHL-UHFFFAOYSA-N 1 2 337.395 2.947 50 0 EFAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCc1cn2ccccc2n1 ZINC000097743197 219053495 /nfs/dbraw/zinc/05/34/95/219053495.db2.gz MNAJMFSXEWRWNZ-INIZCTEOSA-N 1 2 339.443 2.695 50 0 EFAALO CC[C@@H](C(=O)NCCc1c[nH+]c[nH]1)n1cc(C(C)=O)c2ccccc21 ZINC000055167710 214281149 /nfs/dbraw/zinc/28/11/49/214281149.db2.gz ZRJLPRCYXBFSKF-KRWDZBQOSA-N 1 2 338.411 2.877 50 0 EFAALO CC[C@@H](C(=O)NCCc1c[nH]c[nH+]1)n1cc(C(C)=O)c2ccccc21 ZINC000055167710 214281153 /nfs/dbraw/zinc/28/11/53/214281153.db2.gz ZRJLPRCYXBFSKF-KRWDZBQOSA-N 1 2 338.411 2.877 50 0 EFAALO CC[C@H](C(=O)NCCc1c[nH+]c[nH]1)n1cc(C(C)=O)c2ccccc21 ZINC000055167713 214282333 /nfs/dbraw/zinc/28/23/33/214282333.db2.gz ZRJLPRCYXBFSKF-QGZVFWFLSA-N 1 2 338.411 2.877 50 0 EFAALO CC[C@H](C(=O)NCCc1c[nH]c[nH+]1)n1cc(C(C)=O)c2ccccc21 ZINC000055167713 214282335 /nfs/dbraw/zinc/28/23/35/214282335.db2.gz ZRJLPRCYXBFSKF-QGZVFWFLSA-N 1 2 338.411 2.877 50 0 EFAALO CCn1cc[nH+]c1CNC(=O)[C@@H](C)N1c2cccc3cccc(c23)C1=O ZINC000055393598 214318287 /nfs/dbraw/zinc/31/82/87/214318287.db2.gz JFSVXNQNGDVKEZ-CYBMUJFWSA-N 1 2 348.406 2.721 50 0 EFAALO O=C(NCc1cc(F)ccc1F)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000097775998 219056949 /nfs/dbraw/zinc/05/69/49/219056949.db2.gz BAHVKNMQUZLBGV-KRWDZBQOSA-N 1 2 331.366 2.813 50 0 EFAALO Cc1ccn2cc(CNC(=O)[C@H]3CCOc4ccccc4C3)[nH+]c2c1 ZINC000097784719 219057096 /nfs/dbraw/zinc/05/70/96/219057096.db2.gz FOJYIFWKCBKXRP-INIZCTEOSA-N 1 2 335.407 2.900 50 0 EFAALO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000097797382 219057654 /nfs/dbraw/zinc/05/76/54/219057654.db2.gz BHIMJONIDQJAEW-ZDUSSCGKSA-N 1 2 335.391 2.962 50 0 EFAALO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000097797382 219057655 /nfs/dbraw/zinc/05/76/55/219057655.db2.gz BHIMJONIDQJAEW-ZDUSSCGKSA-N 1 2 335.391 2.962 50 0 EFAALO O=C1C=C([NH2+]Nc2nc3ccccc3s2)C(O)N1c1ccccc1 ZINC000100119749 219091713 /nfs/dbraw/zinc/09/17/13/219091713.db2.gz QRWKKKIMSNLZRZ-ZDUSSCGKSA-N 1 2 338.392 2.545 50 0 EFAALO CC[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)OC ZINC000004341465 210175314 /nfs/dbraw/zinc/17/53/14/210175314.db2.gz XVSWCFSTYPFNHR-ZDUSSCGKSA-N 1 2 328.397 2.859 50 0 EFAALO O=C(NCc1ccccc1)C1=NO[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000066088388 215008479 /nfs/dbraw/zinc/00/84/79/215008479.db2.gz LRSDHZZSAAAMDY-AWEZNQCLSA-N 1 2 334.379 2.567 50 0 EFAALO Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)C2CCCCC2)[nH]n1 ZINC000067589095 215165932 /nfs/dbraw/zinc/16/59/32/215165932.db2.gz HECXTMWKXRVVGT-UHFFFAOYSA-N 1 2 327.432 2.812 50 0 EFAALO Cc1cccn2c(CC(=O)N3Cc4cnc(C(C)(C)C)nc4C3)c[nH+]c12 ZINC000067650672 215173326 /nfs/dbraw/zinc/17/33/26/215173326.db2.gz DZIGDUYMWUEDCJ-UHFFFAOYSA-N 1 2 349.438 2.815 50 0 EFAALO C[N@H+](Cc1cc(C(=O)NCCc2ccco2)no1)Cc1ccccc1 ZINC000067649366 215174227 /nfs/dbraw/zinc/17/42/27/215174227.db2.gz KUSUTEOVQCMPGG-UHFFFAOYSA-N 1 2 339.395 2.872 50 0 EFAALO C[N@@H+](Cc1cc(C(=O)NCCc2ccco2)no1)Cc1ccccc1 ZINC000067649366 215174230 /nfs/dbraw/zinc/17/42/30/215174230.db2.gz KUSUTEOVQCMPGG-UHFFFAOYSA-N 1 2 339.395 2.872 50 0 EFAALO CCc1noc(C[N@@H+](CC)Cc2cc3ccc(F)cc3[nH]c2=O)n1 ZINC000067676388 215182568 /nfs/dbraw/zinc/18/25/68/215182568.db2.gz VBFJJDNIVGWWRQ-UHFFFAOYSA-N 1 2 330.363 2.635 50 0 EFAALO CCc1noc(C[N@H+](CC)Cc2cc3ccc(F)cc3[nH]c2=O)n1 ZINC000067676388 215182571 /nfs/dbraw/zinc/18/25/71/215182571.db2.gz VBFJJDNIVGWWRQ-UHFFFAOYSA-N 1 2 330.363 2.635 50 0 EFAALO CCc1c[nH+]c(C)nc1NCCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000067690335 215185732 /nfs/dbraw/zinc/18/57/32/215185732.db2.gz JBTQZPAINUPQOJ-UHFFFAOYSA-N 1 2 343.456 2.917 50 0 EFAALO C[C@@H](C(N)=O)[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067754534 215203050 /nfs/dbraw/zinc/20/30/50/215203050.db2.gz KKONMJZFCAHBLW-NSHDSACASA-N 1 2 346.814 2.781 50 0 EFAALO C[C@@H](C(N)=O)[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067754534 215203051 /nfs/dbraw/zinc/20/30/51/215203051.db2.gz KKONMJZFCAHBLW-NSHDSACASA-N 1 2 346.814 2.781 50 0 EFAALO CC(=O)NCCc1cn(Cc2nc(-c3ccccc3C)oc2C)c[nH+]1 ZINC000067755568 215203596 /nfs/dbraw/zinc/20/35/96/215203596.db2.gz RZEYABPAIDTQPS-UHFFFAOYSA-N 1 2 338.411 2.882 50 0 EFAALO CCC(=O)Nc1cccc(OCC(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000067740618 215198677 /nfs/dbraw/zinc/19/86/77/215198677.db2.gz NTFWKEBPHNATET-UHFFFAOYSA-N 1 2 342.399 2.585 50 0 EFAALO Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000067774586 215208859 /nfs/dbraw/zinc/20/88/59/215208859.db2.gz SLDRWYLMRQWQKK-QGZVFWFLSA-N 1 2 349.438 2.988 50 0 EFAALO Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000067774586 215208863 /nfs/dbraw/zinc/20/88/63/215208863.db2.gz SLDRWYLMRQWQKK-QGZVFWFLSA-N 1 2 349.438 2.988 50 0 EFAALO O=c1[nH]nc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccc(F)cc1F ZINC000067789448 215213290 /nfs/dbraw/zinc/21/32/90/215213290.db2.gz VNKSRJBTGJQYAJ-UHFFFAOYSA-N 1 2 341.321 2.500 50 0 EFAALO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3nccc4ccccc43)C2)n[nH]1 ZINC000067817093 215220048 /nfs/dbraw/zinc/22/00/48/215220048.db2.gz YRDRWVITPUQDJL-HNNXBMFYSA-N 1 2 349.438 2.518 50 0 EFAALO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)c3nccc4ccccc43)C2)n[nH]1 ZINC000067817093 215220049 /nfs/dbraw/zinc/22/00/49/215220049.db2.gz YRDRWVITPUQDJL-HNNXBMFYSA-N 1 2 349.438 2.518 50 0 EFAALO C[C@H]1CCCN1C(=O)c1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2 ZINC000067818810 215220880 /nfs/dbraw/zinc/22/08/80/215220880.db2.gz ONJCPSVGTRKCQD-INIZCTEOSA-N 1 2 338.455 2.914 50 0 EFAALO C[C@H]1CCCN1C(=O)c1cc2n(n1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000067818810 215220884 /nfs/dbraw/zinc/22/08/84/215220884.db2.gz ONJCPSVGTRKCQD-INIZCTEOSA-N 1 2 338.455 2.914 50 0 EFAALO CCc1[nH+]c2ccccc2n1CCC(=O)N1Cc2cnc(CC)nc2C1 ZINC000067868419 215234584 /nfs/dbraw/zinc/23/45/84/215234584.db2.gz VJHVUGACLPYZBY-UHFFFAOYSA-N 1 2 349.438 2.884 50 0 EFAALO Cn1cc[nH+]c1CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067881720 215241403 /nfs/dbraw/zinc/24/14/03/215241403.db2.gz MORYNZAEOAHFJG-UHFFFAOYSA-N 1 2 336.395 2.582 50 0 EFAALO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1cccc(N2CCCC2=O)c1 ZINC000068686242 215328194 /nfs/dbraw/zinc/32/81/94/215328194.db2.gz DEOJKUAMVOONHN-LBPRGKRZSA-N 1 2 336.399 2.663 50 0 EFAALO CC1(C)Cc2c(sc3[nH]c(C[NH2+]Cc4ccco4)nc(=O)c23)CO1 ZINC000040267436 213286034 /nfs/dbraw/zinc/28/60/34/213286034.db2.gz XYTFSQXACAJTKK-UHFFFAOYSA-N 1 2 345.424 2.719 50 0 EFAALO c1cc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)cc2c1OCO2 ZINC000039389267 213235624 /nfs/dbraw/zinc/23/56/24/213235624.db2.gz HSDLULXTGDUTRS-UHFFFAOYSA-N 1 2 343.412 2.567 50 0 EFAALO O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038858798 213230083 /nfs/dbraw/zinc/23/00/83/213230083.db2.gz NIXAIKZFRXYIDU-UHFFFAOYSA-N 1 2 335.363 2.590 50 0 EFAALO O=C(Cc1cc(-c2ccc(F)cc2F)on1)NCCCn1cc[nH+]c1 ZINC000036698033 213110960 /nfs/dbraw/zinc/11/09/60/213110960.db2.gz IWOJMGUOBWGJJU-UHFFFAOYSA-N 1 2 346.337 2.565 50 0 EFAALO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1)c1ccco1 ZINC000036078833 213060434 /nfs/dbraw/zinc/06/04/34/213060434.db2.gz XIVCUCFLVXOHQC-CQSZACIVSA-N 1 2 342.848 2.655 50 0 EFAALO O=C(NCCNc1cc(N2CCCC2)nc[nH+]1)c1ccc(Cl)cc1 ZINC000072115664 216011640 /nfs/dbraw/zinc/01/16/40/216011640.db2.gz NPJXOONULHDPJZ-UHFFFAOYSA-N 1 2 345.834 2.572 50 0 EFAALO O=C(NCCNc1cc(N2CCCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000072115664 216011641 /nfs/dbraw/zinc/01/16/41/216011641.db2.gz NPJXOONULHDPJZ-UHFFFAOYSA-N 1 2 345.834 2.572 50 0 EFAALO CC1(C)Cc2cc(-c3[nH+]ccn3[C@@H]3C=CS(=O)(=O)C3)ccc2O1 ZINC000072146516 216033548 /nfs/dbraw/zinc/03/35/48/216033548.db2.gz RJLNZLKMPRSWRK-CQSZACIVSA-N 1 2 330.409 2.747 50 0 EFAALO CC(C)c1nccc(C[N@@H+]2CCCN(Cc3cccnc3)CC2)n1 ZINC000072151847 216040005 /nfs/dbraw/zinc/04/00/05/216040005.db2.gz AJJUPSQHURRRRM-UHFFFAOYSA-N 1 2 325.460 2.703 50 0 EFAALO CC(C)c1nccc(C[N@H+]2CCCN(Cc3cccnc3)CC2)n1 ZINC000072151847 216040008 /nfs/dbraw/zinc/04/00/08/216040008.db2.gz 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Cc1cc2c3nnc(SCC[NH+]4CCOCC4)nc3[nH]c2c(C)c1 ZINC000020621598 212156836 /nfs/dbraw/zinc/15/68/36/212156836.db2.gz MOFROTDSFWNBGU-UHFFFAOYSA-N 1 2 343.456 2.547 50 0 EFAALO Cc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020418813 212126757 /nfs/dbraw/zinc/12/67/57/212126757.db2.gz HMYWXCLCZPGWBJ-UHFFFAOYSA-N 1 2 341.430 2.890 50 0 EFAALO CCOc1cc(C[NH2+]Cc2nnc(-c3ccncc3)[nH]2)ccc1OC ZINC000414547408 244225180 /nfs/dbraw/zinc/22/51/80/244225180.db2.gz HXHJGIWCORTMFF-UHFFFAOYSA-N 1 2 339.399 2.564 50 0 EFAALO NC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000020130274 212103741 /nfs/dbraw/zinc/10/37/41/212103741.db2.gz XCAITRNMMHUBTJ-UHFFFAOYSA-N 1 2 349.221 2.763 50 0 EFAALO O=C(CC(c1ccccc1)c1ccccc1)NCC[NH+]1CCOCC1 ZINC000020028778 212094424 /nfs/dbraw/zinc/09/44/24/212094424.db2.gz HYDXXMOHGSFERI-UHFFFAOYSA-N 1 2 338.451 2.657 50 0 EFAALO CC[C@H](C)[N@@H+]1CNc2c(c(=O)[nH]c(=S)n2Cc2ccccc2)C1 ZINC000019938905 212087191 /nfs/dbraw/zinc/08/71/91/212087191.db2.gz 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C[C@H]1CCc2sc3ncnc(NCC[NH+]4CCOCC4)c3c2C1 ZINC000019682051 212054132 /nfs/dbraw/zinc/05/41/32/212054132.db2.gz OVNODESDYGDNIQ-LBPRGKRZSA-N 1 2 332.473 2.560 50 0 EFAALO Cc1ncc(C(=O)N[C@@H](CCn2cc[nH+]c2)c2ccccc2)c(C)n1 ZINC000019595181 212050009 /nfs/dbraw/zinc/05/00/09/212050009.db2.gz KCMQSWQIGWWJTF-SFHVURJKSA-N 1 2 335.411 2.851 50 0 EFAALO Brc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000019537345 212040837 /nfs/dbraw/zinc/04/08/37/212040837.db2.gz GUSXYWVMIBACMK-UHFFFAOYSA-N 1 2 333.233 2.561 50 0 EFAALO COC(=O)CCCC(=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000019146967 212002137 /nfs/dbraw/zinc/00/21/37/212002137.db2.gz ZWGXVVQJQVQTBA-UHFFFAOYSA-N 1 2 347.459 2.812 50 0 EFAALO CC(C)N1C[C@H](n2cc[nH+]c2-c2ccc3c(c2)OCCO3)CC1=O ZINC000082127822 217473015 /nfs/dbraw/zinc/47/30/15/217473015.db2.gz ZZSJBNZBWRAXOT-CQSZACIVSA-N 1 2 327.384 2.503 50 0 EFAALO CC(C)NC(=O)c1cc(NC(=O)NCCc2c[nH+]c[nH]2)ccc1Cl ZINC000426387601 247272982 /nfs/dbraw/zinc/27/29/82/247272982.db2.gz FJBOLLYRMDIULU-UHFFFAOYSA-N 1 2 349.822 2.566 50 0 EFAALO CC(C)NC(=O)c1cc(NC(=O)NCCc2c[nH]c[nH+]2)ccc1Cl ZINC000426387601 247272986 /nfs/dbraw/zinc/27/29/86/247272986.db2.gz FJBOLLYRMDIULU-UHFFFAOYSA-N 1 2 349.822 2.566 50 0 EFAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)N1CCOc2ccc(Cl)cc2C1 ZINC000426409169 247277386 /nfs/dbraw/zinc/27/73/86/247277386.db2.gz BMGLDEUVTMPZOZ-OAHLLOKOSA-N 1 2 348.834 2.919 50 0 EFAALO O=C(N[C@@H]1COC2(C1)CCCCC2)c1ccc(Cn2cc[nH+]c2)o1 ZINC000426504404 247289033 /nfs/dbraw/zinc/28/90/33/247289033.db2.gz BXGLEELPUQQVJN-AWEZNQCLSA-N 1 2 329.400 2.746 50 0 EFAALO CCn1cc[nH+]c1CNC(=O)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000012433721 211379431 /nfs/dbraw/zinc/37/94/31/211379431.db2.gz UWQLHHJKTKQOCW-UHFFFAOYSA-N 1 2 348.410 2.559 50 0 EFAALO CCn1cc[nH+]c1CN(C)Cc1nc(Cc2ccccc2F)no1 ZINC000012302685 211338921 /nfs/dbraw/zinc/33/89/21/211338921.db2.gz LEIPRXYPUALJDC-UHFFFAOYSA-N 1 2 329.379 2.648 50 0 EFAALO Cc1nc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)cc[nH+]1 ZINC000091493637 218013944 /nfs/dbraw/zinc/01/39/44/218013944.db2.gz KYFCEVUDSGSZCX-UHFFFAOYSA-N 1 2 328.460 2.937 50 0 EFAALO CCCn1cc[nH+]c1CNC(=O)c1c[nH]nc1-c1cccc(F)c1 ZINC000091602682 218030351 /nfs/dbraw/zinc/03/03/51/218030351.db2.gz IMVWWEWJRZIKNZ-UHFFFAOYSA-N 1 2 327.363 2.752 50 0 EFAALO CC1(C)CN(C(=O)Cn2c3ccccc3[nH+]c2C2CC2)C[C@]1(C)O ZINC000091691350 218047819 /nfs/dbraw/zinc/04/78/19/218047819.db2.gz KALIUPUACUDYBV-IBGZPJMESA-N 1 2 327.428 2.533 50 0 EFAALO Cc1ccccc1N1C[C@@H](Cc2ccccc2)[N@H+](CCCO)CC1=O ZINC000091635392 218036707 /nfs/dbraw/zinc/03/67/07/218036707.db2.gz IPWLMADOORGQON-LJQANCHMSA-N 1 2 338.451 2.637 50 0 EFAALO Cc1ccccc1N1C[C@@H](Cc2ccccc2)[N@@H+](CCCO)CC1=O ZINC000091635392 218036709 /nfs/dbraw/zinc/03/67/09/218036709.db2.gz IPWLMADOORGQON-LJQANCHMSA-N 1 2 338.451 2.637 50 0 EFAALO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2c[nH+]c[nH]2)C1 ZINC000091651003 218039948 /nfs/dbraw/zinc/03/99/48/218039948.db2.gz NDHPKJRMNKWYOJ-IBGZPJMESA-N 1 2 341.411 2.552 50 0 EFAALO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCc2c[nH]c[nH+]2)C1 ZINC000091651003 218039951 /nfs/dbraw/zinc/03/99/51/218039951.db2.gz NDHPKJRMNKWYOJ-IBGZPJMESA-N 1 2 341.411 2.552 50 0 EFAALO Cc1nnc(C[N@@H+]2C[C@H](NC(=O)CC3CCCC3)[C@@H](C3CC3)C2)s1 ZINC000091871637 218080407 /nfs/dbraw/zinc/08/04/07/218080407.db2.gz YLEGGLVYFZRHJA-CVEARBPZSA-N 1 2 348.516 2.753 50 0 EFAALO Cc1nnc(C[N@H+]2C[C@H](NC(=O)CC3CCCC3)[C@@H](C3CC3)C2)s1 ZINC000091871637 218080410 /nfs/dbraw/zinc/08/04/10/218080410.db2.gz YLEGGLVYFZRHJA-CVEARBPZSA-N 1 2 348.516 2.753 50 0 EFAALO O=C(N1CCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091951448 218093307 /nfs/dbraw/zinc/09/33/07/218093307.db2.gz UZTGQRDDMNZPPW-KRWDZBQOSA-N 1 2 339.443 2.722 50 0 EFAALO C[C@H](CC(=O)N1CCCN(c2ccc(F)cc2)CC1)n1cc[nH+]c1 ZINC000092077906 218115876 /nfs/dbraw/zinc/11/58/76/218115876.db2.gz CONWLAHITWXJCY-OAHLLOKOSA-N 1 2 330.407 2.712 50 0 EFAALO O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1ccc2[nH+]ccn2c1 ZINC000092107415 218120916 /nfs/dbraw/zinc/12/09/16/218120916.db2.gz GKMQJMJSUOTITP-AWEZNQCLSA-N 1 2 338.386 2.730 50 0 EFAALO O=C(c1cccnc1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000092106854 218121111 /nfs/dbraw/zinc/12/11/11/218121111.db2.gz PZKLFTLTAGYBCN-SFHVURJKSA-N 1 2 347.422 2.741 50 0 EFAALO CC(C)c1nnc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cscn2)C3)o1 ZINC000092045555 218109944 /nfs/dbraw/zinc/10/99/44/218109944.db2.gz IVLDJQINRBGYDI-DZGCQCFKSA-N 1 2 347.488 2.746 50 0 EFAALO CC(C)c1nnc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)o1 ZINC000092045555 218109946 /nfs/dbraw/zinc/10/99/46/218109946.db2.gz IVLDJQINRBGYDI-DZGCQCFKSA-N 1 2 347.488 2.746 50 0 EFAALO CC(C)c1nnc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)o1 ZINC000092045555 218109948 /nfs/dbraw/zinc/10/99/48/218109948.db2.gz IVLDJQINRBGYDI-DZGCQCFKSA-N 1 2 347.488 2.746 50 0 EFAALO CC(C)c1nnc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)o1 ZINC000092045555 218109950 /nfs/dbraw/zinc/10/99/50/218109950.db2.gz IVLDJQINRBGYDI-DZGCQCFKSA-N 1 2 347.488 2.746 50 0 EFAALO O=S1(=O)C=C(N2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000010494769 211178020 /nfs/dbraw/zinc/17/80/20/211178020.db2.gz AUXUVXQTOOYCNB-UHFFFAOYSA-N 1 2 332.469 2.723 50 0 EFAALO CCOC(CNc1[nH+]cnc2c1cnn2-c1ccc(C)cc1)OCC ZINC000010386841 211170368 /nfs/dbraw/zinc/17/03/68/211170368.db2.gz AAKDGINOENDESX-UHFFFAOYSA-N 1 2 341.415 2.935 50 0 EFAALO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccco1 ZINC000010334622 211166486 /nfs/dbraw/zinc/16/64/86/211166486.db2.gz QSVZZWMQZOLWGG-SECBINFHSA-N 1 2 334.850 2.576 50 0 EFAALO CC(C)Cc1cc(CNC(=O)[C@H](c2ccccc2F)[NH+](C)C)on1 ZINC000095352448 218287262 /nfs/dbraw/zinc/28/72/62/218287262.db2.gz NWKNKTJRMSKLTA-KRWDZBQOSA-N 1 2 333.407 2.931 50 0 EFAALO Cc1cc(N2CCC3(CC2)OCCC[C@@H]3O)nc(-c2ccccc2)[nH+]1 ZINC000095357721 218292262 /nfs/dbraw/zinc/29/22/62/218292262.db2.gz PBXDFMAGGDCQMM-KRWDZBQOSA-N 1 2 339.439 2.962 50 0 EFAALO COCc1cc(N2CCC(c3[nH+]c4ccccc4n3C)CC2)ncn1 ZINC000095358479 218292366 /nfs/dbraw/zinc/29/23/66/218292366.db2.gz ALCQCHDXTZLQDW-UHFFFAOYSA-N 1 2 337.427 2.894 50 0 EFAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000095366635 218298922 /nfs/dbraw/zinc/29/89/22/218298922.db2.gz XOZQGBIEGIHQNN-QGZVFWFLSA-N 1 2 343.475 2.756 50 0 EFAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)NCCn1cc(C)cn1 ZINC000095370523 218303181 /nfs/dbraw/zinc/30/31/81/218303181.db2.gz PDLWKTNBOVPCMB-INIZCTEOSA-N 1 2 339.443 2.871 50 0 EFAALO O=C(N1CCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095381064 218313562 /nfs/dbraw/zinc/31/35/62/218313562.db2.gz CGCLPTWTGVAQAP-AWEZNQCLSA-N 1 2 345.472 2.783 50 0 EFAALO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccsc1 ZINC000008895996 211015987 /nfs/dbraw/zinc/01/59/87/211015987.db2.gz FXAPNLWHWUMNQX-CYBMUJFWSA-N 1 2 346.424 2.608 50 0 EFAALO Cc1c[nH]c(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)n1 ZINC000095387584 218319488 /nfs/dbraw/zinc/31/94/88/218319488.db2.gz FOWPXHHQYLDFND-OAHLLOKOSA-N 1 2 327.432 2.735 50 0 EFAALO CCc1nnsc1C(=O)N1CCC[C@H](c2[nH+]ccn2C(C)C)C1 ZINC000095390466 218321442 /nfs/dbraw/zinc/32/14/42/218321442.db2.gz PQYPLCREFTZZPH-LBPRGKRZSA-N 1 2 333.461 2.898 50 0 EFAALO CC(C)C(=O)Nc1cc(NC(=O)N(C)Cc2[nH]cc[nH+]2)ccc1F ZINC000096153110 218629896 /nfs/dbraw/zinc/62/98/96/218629896.db2.gz CYAHQKZNCFVLMD-UHFFFAOYSA-N 1 2 333.367 2.807 50 0 EFAALO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000067724663 285032642 /nfs/dbraw/zinc/03/26/42/285032642.db2.gz PIWFYPAVHFSUOJ-CYBMUJFWSA-N 1 2 330.407 2.630 50 0 EFAALO CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000067724663 285032647 /nfs/dbraw/zinc/03/26/47/285032647.db2.gz PIWFYPAVHFSUOJ-CYBMUJFWSA-N 1 2 330.407 2.630 50 0 EFAALO COc1ccc(CCNC(=O)c2cnc(C[NH+]3CCCC3)s2)cc1 ZINC000097324017 219012187 /nfs/dbraw/zinc/01/21/87/219012187.db2.gz PPQVCSFFSMYZFC-UHFFFAOYSA-N 1 2 345.468 2.720 50 0 EFAALO CCc1[nH]nc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097447081 219025553 /nfs/dbraw/zinc/02/55/53/219025553.db2.gz WXCBWCUKJDCITF-JXMROGBWSA-N 1 2 338.455 2.752 50 0 EFAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCC[C@@]2(CCCO2)CC1 ZINC000097570860 219035358 /nfs/dbraw/zinc/03/53/58/219035358.db2.gz BHGDHUTURMCFGV-LJQANCHMSA-N 1 2 327.428 2.829 50 0 EFAALO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1O ZINC000025757268 285287539 /nfs/dbraw/zinc/28/75/39/285287539.db2.gz DPQOMEPZWBXAMA-QMMMGPOBSA-N 1 2 333.215 2.619 50 0 in-vitro EFAALO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1O ZINC000025757268 285287540 /nfs/dbraw/zinc/28/75/40/285287540.db2.gz DPQOMEPZWBXAMA-QMMMGPOBSA-N 1 2 333.215 2.619 50 0 in-vitro EFAALO CC(C)[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1[nH+]ccn1C ZINC000299776931 258087355 /nfs/dbraw/zinc/08/73/55/258087355.db2.gz FYDIVRIJWBIRRP-KRWDZBQOSA-N 1 2 329.400 2.595 50 0 EFAALO CCCc1nc(CNC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)cs1 ZINC000299783186 258091093 /nfs/dbraw/zinc/09/10/93/258091093.db2.gz KEFIVNGTZQWIFW-QGZVFWFLSA-N 1 2 344.484 2.944 50 0 EFAALO CCSc1ccc(NC(=O)N(CCO)Cc2[nH+]ccn2C)cc1 ZINC000299789289 258095637 /nfs/dbraw/zinc/09/56/37/258095637.db2.gz ZNPFXDOBFIPNJB-UHFFFAOYSA-N 1 2 334.445 2.559 50 0 EFAALO COc1ccc(C[N@H+](Cc2ccccn2)[C@H](C)C(=O)N(C)C)cc1 ZINC000299791153 258096877 /nfs/dbraw/zinc/09/68/77/258096877.db2.gz CBQKTUFUISPCEU-OAHLLOKOSA-N 1 2 327.428 2.569 50 0 EFAALO COc1ccc(C[N@@H+](Cc2ccccn2)[C@H](C)C(=O)N(C)C)cc1 ZINC000299791153 258096879 /nfs/dbraw/zinc/09/68/79/258096879.db2.gz CBQKTUFUISPCEU-OAHLLOKOSA-N 1 2 327.428 2.569 50 0 EFAALO COc1ccc(C[N@H+](Cc2ccccn2)[C@@H](C)C(=O)N(C)C)cc1 ZINC000299791138 258096980 /nfs/dbraw/zinc/09/69/80/258096980.db2.gz CBQKTUFUISPCEU-HNNXBMFYSA-N 1 2 327.428 2.569 50 0 EFAALO COc1ccc(C[N@@H+](Cc2ccccn2)[C@@H](C)C(=O)N(C)C)cc1 ZINC000299791138 258096982 /nfs/dbraw/zinc/09/69/82/258096982.db2.gz CBQKTUFUISPCEU-HNNXBMFYSA-N 1 2 327.428 2.569 50 0 EFAALO O=C(CCc1cc(=O)[nH]o1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299797619 258101470 /nfs/dbraw/zinc/10/14/70/258101470.db2.gz OVAREOUGVIUXLJ-QGZVFWFLSA-N 1 2 343.427 2.656 50 0 EFAALO Cc1nnc(C[N@H+](CCOc2ccccc2)C[C@H]2CCCO2)s1 ZINC000299802803 258105360 /nfs/dbraw/zinc/10/53/60/258105360.db2.gz QBJPFMKTANIMIX-MRXNPFEDSA-N 1 2 333.457 2.907 50 0 EFAALO Cc1nnc(C[N@@H+](CCOc2ccccc2)C[C@H]2CCCO2)s1 ZINC000299802803 258105363 /nfs/dbraw/zinc/10/53/63/258105363.db2.gz QBJPFMKTANIMIX-MRXNPFEDSA-N 1 2 333.457 2.907 50 0 EFAALO COCCn1c[nH+]cc1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000299803155 258105939 /nfs/dbraw/zinc/10/59/39/258105939.db2.gz YLVGIFCPMBXXGB-UHFFFAOYSA-N 1 2 347.846 2.921 50 0 EFAALO CC[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000057596126 258061686 /nfs/dbraw/zinc/06/16/86/258061686.db2.gz ZLOLJEWPSULRPH-MRXNPFEDSA-N 1 2 337.485 2.823 50 0 EFAALO CC[N@@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000057596126 258061688 /nfs/dbraw/zinc/06/16/88/258061688.db2.gz ZLOLJEWPSULRPH-MRXNPFEDSA-N 1 2 337.485 2.823 50 0 EFAALO Cc1[nH]nc(C2CC2)c1C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299762869 258079520 /nfs/dbraw/zinc/07/95/20/258079520.db2.gz CPVKSBFSPNBTKN-UHFFFAOYSA-N 1 2 326.400 2.674 50 0 EFAALO Cc1n[nH]c(C2CC2)c1C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299762869 258079521 /nfs/dbraw/zinc/07/95/21/258079521.db2.gz CPVKSBFSPNBTKN-UHFFFAOYSA-N 1 2 326.400 2.674 50 0 EFAALO O=C(c1cccc(-c2cncnc2)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000299765267 258079977 /nfs/dbraw/zinc/07/99/77/258079977.db2.gz DMMRKGRMLCLEFT-UHFFFAOYSA-N 1 2 348.406 2.695 50 0 EFAALO Cc1c(NC(=O)N(C)Cc2[nH]cc[nH+]2)cccc1C(=O)NC(C)(C)C ZINC000299767984 258082207 /nfs/dbraw/zinc/08/22/07/258082207.db2.gz DJLQGPXNMXYQAA-UHFFFAOYSA-N 1 2 343.431 2.910 50 0 EFAALO COc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3C)CC2)c1 ZINC000055060301 132193210 /nfs/dbraw/zinc/19/32/10/132193210.db2.gz YFNYABIMSHEXQG-UHFFFAOYSA-N 1 2 339.439 2.764 50 0 EFAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)NCc1ccccc1 ZINC000055060277 132193219 /nfs/dbraw/zinc/19/32/19/132193219.db2.gz NJCAKELJHNGMBR-UHFFFAOYSA-N 1 2 343.858 2.778 50 0 EFAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000055062835 132193480 /nfs/dbraw/zinc/19/34/80/132193480.db2.gz 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c1[nH]c2c([nH+]1)CCN(Cc1cccnc1)[C@@H]2c1ccc2c(c1)OCCO2 ZINC000067587706 304863990 /nfs/dbraw/zinc/86/39/90/304863990.db2.gz GKWICQYYNGSJRY-HXUWFJFHSA-N 1 2 348.406 2.724 50 0 EFAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)c2ccco2)C1 ZINC000095501636 473214533 /nfs/dbraw/zinc/21/45/33/473214533.db2.gz JTIVAJOYWZDNEO-CQSZACIVSA-N 1 2 329.400 2.865 50 0 EFAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2cc(N)ccn2)CC1 ZINC000095529164 473221382 /nfs/dbraw/zinc/22/13/82/473221382.db2.gz QYZUCTZSRGVUTN-UHFFFAOYSA-N 1 2 327.432 2.680 50 0 EFAALO Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000082108338 473291522 /nfs/dbraw/zinc/29/15/22/473291522.db2.gz ODTUURWBELGSNU-KRWDZBQOSA-N 1 2 343.475 2.637 50 0 EFAALO CC(=O)c1cccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)c1 ZINC000082121190 473292674 /nfs/dbraw/zinc/29/26/74/473292674.db2.gz HKHDGQMVKSRNBH-IBGZPJMESA-N 1 2 344.455 2.606 50 0 EFAALO CCn1c(C[NH+]2CCCC2)nnc1C1CCN(C(=O)C(C)(C)C)CC1 ZINC000082134111 473294385 /nfs/dbraw/zinc/29/43/85/473294385.db2.gz NNYPGWORHGWOLO-UHFFFAOYSA-N 1 2 347.507 2.646 50 0 EFAALO Cc1ccc(S(=O)(=O)N(Cc2c[nH+]c3ccccn23)C2CC2)cc1 ZINC000096097138 473294688 /nfs/dbraw/zinc/29/46/88/473294688.db2.gz QFHFPUFNUVOQAZ-UHFFFAOYSA-N 1 2 341.436 2.996 50 0 EFAALO COc1ccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c(C)c1 ZINC000096098770 473294899 /nfs/dbraw/zinc/29/48/99/473294899.db2.gz JXHVSIUNRZOWJT-UHFFFAOYSA-N 1 2 344.419 2.570 50 0 EFAALO Cc1noc(C)c1C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082156235 473295980 /nfs/dbraw/zinc/29/59/80/473295980.db2.gz AOBBPVYIEHXWPZ-UHFFFAOYSA-N 1 2 328.416 2.918 50 0 EFAALO O=C(NCc1ccco1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082156843 473297208 /nfs/dbraw/zinc/29/72/08/473297208.db2.gz WDSQQZWKVBUSLM-OAHLLOKOSA-N 1 2 328.416 2.975 50 0 EFAALO Cc1cccc2[nH+]c([C@H]3CCCN(c4cc(C(N)=O)ccn4)C3)[nH]c21 ZINC000096133679 473309717 /nfs/dbraw/zinc/30/97/17/473309717.db2.gz LYIDRCMUKKQKGU-AWEZNQCLSA-N 1 2 335.411 2.749 50 0 EFAALO Cc1cccc2[nH]c([C@H]3CCCN(c4cc(C(N)=O)ccn4)C3)[nH+]c21 ZINC000096133679 473309722 /nfs/dbraw/zinc/30/97/22/473309722.db2.gz LYIDRCMUKKQKGU-AWEZNQCLSA-N 1 2 335.411 2.749 50 0 EFAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(OC)cc1OC ZINC000096130745 473309361 /nfs/dbraw/zinc/30/93/61/473309361.db2.gz PNJANTIVEBKRDZ-UHFFFAOYSA-N 1 2 332.404 2.881 50 0 EFAALO O=C(NC[C@H]1CCCN(c2cccc[nH+]2)C1)Nc1ccc(F)nc1 ZINC000096132603 473310074 /nfs/dbraw/zinc/31/00/74/473310074.db2.gz ABBIWFNAESTPLQ-CYBMUJFWSA-N 1 2 329.379 2.654 50 0 EFAALO Cc1ccc(-c2nc([C@H](c3cccc(F)c3)[NH+](C)C)n(CCO)n2)o1 ZINC000096136235 473311843 /nfs/dbraw/zinc/31/18/43/473311843.db2.gz CDKCSCLOHGJGAY-INIZCTEOSA-N 1 2 344.390 2.629 50 0 EFAALO Nc1[nH+]cccc1-c1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000096140120 473313582 /nfs/dbraw/zinc/31/35/82/473313582.db2.gz SKBRPLCDWGITIV-UHFFFAOYSA-N 1 2 339.420 2.809 50 0 EFAALO Cc1cccc2[nH+]c([C@@H]3CCCN(c4nc(N)nc5nc[nH]c54)C3)[nH]c21 ZINC000096149406 473314386 /nfs/dbraw/zinc/31/43/86/473314386.db2.gz YJKCRHMXZBMJBM-LLVKDONJSA-N 1 2 348.414 2.504 50 0 EFAALO Cc1cccc2[nH]c([C@@H]3CCCN(c4nc(N)nc5nc[nH]c54)C3)[nH+]c21 ZINC000096149406 473314395 /nfs/dbraw/zinc/31/43/95/473314395.db2.gz YJKCRHMXZBMJBM-LLVKDONJSA-N 1 2 348.414 2.504 50 0 EFAALO O=C(NC(=O)c1cccc(F)c1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000000098854 471322705 /nfs/dbraw/zinc/32/27/05/471322705.db2.gz DTBMGNLTMCQNKD-GOEBONIOSA-N 1 2 334.391 2.957 50 0 EFAALO O=C(NC(=O)c1cccc(F)c1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000000098854 471322710 /nfs/dbraw/zinc/32/27/10/471322710.db2.gz DTBMGNLTMCQNKD-GOEBONIOSA-N 1 2 334.391 2.957 50 0 EFAALO Cc1cccc(N2CCC(NC(=S)NC(=O)c3ccccc3)=[NH+]2)c1 ZINC000000230651 471339168 /nfs/dbraw/zinc/33/91/68/471339168.db2.gz UMIJQQTWFQBMAH-UHFFFAOYSA-N 1 2 338.436 2.823 50 0 EFAALO Brc1ccc(C2=NCSC(N3CCOCC3)=[NH+]2)cc1 ZINC000001776060 471397518 /nfs/dbraw/zinc/39/75/18/471397518.db2.gz FZXAULJHQBNAHV-UHFFFAOYSA-N 1 2 340.246 2.588 50 0 EFAALO COc1ccc(C(=O)Cn2c3ccccc3[nH+]c2NCCCO)cc1 ZINC000001833493 471398680 /nfs/dbraw/zinc/39/86/80/471398680.db2.gz AUZZHJZLYCAGRD-UHFFFAOYSA-N 1 2 339.395 2.722 50 0 EFAALO CCOC(=O)C(=C[NH+]=c1cc(C)[nH]c2ccccc21)C(=O)OCC ZINC000002562084 471411785 /nfs/dbraw/zinc/41/17/85/471411785.db2.gz KETMARNSRSOQQH-UHFFFAOYSA-N 1 2 328.368 2.965 50 0 EFAALO CCOC(=O)C(=CNc1cc(C)[nH+]c2ccccc12)C(=O)OCC ZINC000002562084 471411793 /nfs/dbraw/zinc/41/17/93/471411793.db2.gz KETMARNSRSOQQH-UHFFFAOYSA-N 1 2 328.368 2.965 50 0 EFAALO CCOc1ccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000004188630 471461555 /nfs/dbraw/zinc/46/15/55/471461555.db2.gz JKCIQUHVYQXQNC-UHFFFAOYSA-N 1 2 342.468 2.999 50 0 EFAALO Cc1cc(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl ZINC000004725337 471472265 /nfs/dbraw/zinc/47/22/65/471472265.db2.gz CJHOYKWCRXKTNB-UHFFFAOYSA-N 1 2 345.830 2.771 50 0 EFAALO C[NH+]1CCN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1 ZINC000004988723 471481793 /nfs/dbraw/zinc/48/17/93/471481793.db2.gz UZYZOVPNRNRGIM-OZSKJFCKSA-N 1 2 348.450 2.687 50 0 EFAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1ccccc1)CC2 ZINC000005346677 471501078 /nfs/dbraw/zinc/50/10/78/471501078.db2.gz FRGRYWHMHSZDDO-UHFFFAOYSA-N 1 2 326.396 2.701 50 0 biogenic EFAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1ccccc1)CC2 ZINC000005346677 471501082 /nfs/dbraw/zinc/50/10/82/471501082.db2.gz FRGRYWHMHSZDDO-UHFFFAOYSA-N 1 2 326.396 2.701 50 0 biogenic EFAALO CC(C)C[C@H]([NH3+])c1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000005556456 471511531 /nfs/dbraw/zinc/51/15/31/471511531.db2.gz YGHRFBCEZSBPAV-LBPRGKRZSA-N 1 2 343.836 2.743 50 0 EFAALO O=C(Nc1ccccc1C(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000006110433 471532106 /nfs/dbraw/zinc/53/21/06/471532106.db2.gz BYSMOZXJNKBUAF-UHFFFAOYSA-N 1 2 348.406 2.956 50 0 EFAALO Cc1[nH+]c2ccccc2n1Cc1nnc2sc(-c3ccncc3)nn12 ZINC000006700563 471560914 /nfs/dbraw/zinc/56/09/14/471560914.db2.gz KNBIUJZDDPYULS-UHFFFAOYSA-N 1 2 347.407 2.954 50 0 EFAALO CC(C)Oc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000006704537 471562355 /nfs/dbraw/zinc/56/23/55/471562355.db2.gz DAGCATNELFLIQA-UHFFFAOYSA-N 1 2 325.412 2.831 50 0 EFAALO CCCCOc1cccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009340457 471715736 /nfs/dbraw/zinc/71/57/36/471715736.db2.gz XTTGOGILDAVHSI-KBPBESRZSA-N 1 2 340.470 2.519 50 0 EFAALO Cc1ccc(N2CC[N@@H+](CC(=O)NCc3ccccc3)C[C@@H]2C)cc1 ZINC000013737098 471842627 /nfs/dbraw/zinc/84/26/27/471842627.db2.gz DYRWWNCOZGEWQH-SFHVURJKSA-N 1 2 337.467 2.822 50 0 EFAALO Cc1ccc(N2CC[N@H+](CC(=O)NCc3ccccc3)C[C@@H]2C)cc1 ZINC000013737098 471842633 /nfs/dbraw/zinc/84/26/33/471842633.db2.gz DYRWWNCOZGEWQH-SFHVURJKSA-N 1 2 337.467 2.822 50 0 EFAALO CCc1ccc(O[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000013744952 471842854 /nfs/dbraw/zinc/84/28/54/471842854.db2.gz VUWYQQDTODIEKC-MRXNPFEDSA-N 1 2 339.439 2.760 50 0 EFAALO O=C(Nc1ccccc1C(=O)NCCCn1cc[nH+]c1)c1ccco1 ZINC000013943349 471845808 /nfs/dbraw/zinc/84/58/08/471845808.db2.gz BAPIDWQJGGQZIK-UHFFFAOYSA-N 1 2 338.367 2.549 50 0 EFAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccccc1 ZINC000014137274 471854832 /nfs/dbraw/zinc/85/48/32/471854832.db2.gz JACANPXTKNHJAL-UHFFFAOYSA-N 1 2 325.412 2.841 50 0 EFAALO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1cccc(Cl)c1Cl ZINC000014193215 471860513 /nfs/dbraw/zinc/86/05/13/471860513.db2.gz OPGQVMMPOPPDLH-UHFFFAOYSA-N 1 2 345.226 2.771 50 0 EFAALO O=C(c1cccnc1)[C@H]1CCC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000014955974 471883340 /nfs/dbraw/zinc/88/33/40/471883340.db2.gz OVHGQQUMGHUGQW-HNNXBMFYSA-N 1 2 349.394 2.622 50 0 EFAALO O=C(c1cccnc1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000014955974 471883343 /nfs/dbraw/zinc/88/33/43/471883343.db2.gz OVHGQQUMGHUGQW-HNNXBMFYSA-N 1 2 349.394 2.622 50 0 EFAALO COc1ccc(CCC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000016604415 471943799 /nfs/dbraw/zinc/94/37/99/471943799.db2.gz COLMCFPGTUBKKH-UHFFFAOYSA-N 1 2 328.412 2.565 50 0 EFAALO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000016603314 471944555 /nfs/dbraw/zinc/94/45/55/471944555.db2.gz ABMFSHLRRBGZPB-INIZCTEOSA-N 1 2 328.412 2.700 50 0 EFAALO O=C(Cc1c(F)cccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000016605712 471944590 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Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000013331691 471825949 /nfs/dbraw/zinc/82/59/49/471825949.db2.gz KBYZQCUGNCCBJZ-QGZVFWFLSA-N 1 2 339.439 2.815 50 0 EFAALO CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CC[NH+](C)CC1 ZINC000013331684 471825979 /nfs/dbraw/zinc/82/59/79/471825979.db2.gz LOLHELKIDNJWSN-ZDUSSCGKSA-N 1 2 331.243 2.925 50 0 EFAALO CCOc1ccccc1C[NH+]1CCN(C(=O)NC2CCCC2)CC1 ZINC000013328278 471826184 /nfs/dbraw/zinc/82/61/84/471826184.db2.gz KVBNFEFWTJRTBI-UHFFFAOYSA-N 1 2 331.460 2.855 50 0 EFAALO COc1ccc(C)cc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000013324770 471826659 /nfs/dbraw/zinc/82/66/59/471826659.db2.gz OTHZSXZVMNWIEY-UHFFFAOYSA-N 1 2 340.427 2.748 50 0 EFAALO CCOC(=O)C1CC[NH+](Cc2nc(Cc3ccccc3F)no2)CC1 ZINC000014956637 471882945 /nfs/dbraw/zinc/88/29/45/471882945.db2.gz MZNDNGZQYVEJEM-UHFFFAOYSA-N 1 2 347.390 2.575 50 0 EFAALO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2nnc(C)o2)c(F)c1 ZINC000015070411 471887362 /nfs/dbraw/zinc/88/73/62/471887362.db2.gz TXULMRCXFCNUCK-UHFFFAOYSA-N 1 2 331.351 2.548 50 0 EFAALO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2nnc(C)o2)c(F)c1 ZINC000015070411 471887370 /nfs/dbraw/zinc/88/73/70/471887370.db2.gz TXULMRCXFCNUCK-UHFFFAOYSA-N 1 2 331.351 2.548 50 0 EFAALO Cc1cccc(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000016579508 471941896 /nfs/dbraw/zinc/94/18/96/471941896.db2.gz ORWHWRCEGOOPBW-UHFFFAOYSA-N 1 2 344.480 2.643 50 0 EFAALO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000016605530 471944565 /nfs/dbraw/zinc/94/45/65/471944565.db2.gz VEUWCJSYVRKXCM-INIZCTEOSA-N 1 2 328.412 2.700 50 0 EFAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccccn1)[N@H+](C)CC3)OCO2 ZINC000020111678 471987346 /nfs/dbraw/zinc/98/73/46/471987346.db2.gz FPJDLQJHYYMUBN-AWEZNQCLSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccccn1)[N@@H+](C)CC3)OCO2 ZINC000020111678 471987349 /nfs/dbraw/zinc/98/73/49/471987349.db2.gz FPJDLQJHYYMUBN-AWEZNQCLSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO Cc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CC[N@@H+](C)C3 ZINC000020566130 471991135 /nfs/dbraw/zinc/99/11/35/471991135.db2.gz DEVIBVVKYWOZOM-UHFFFAOYSA-N 1 2 325.397 2.895 50 0 EFAALO Cc1nc2sc3c(c2c2nc(-c4ccco4)nn21)CC[N@H+](C)C3 ZINC000020566130 471991138 /nfs/dbraw/zinc/99/11/38/471991138.db2.gz DEVIBVVKYWOZOM-UHFFFAOYSA-N 1 2 325.397 2.895 50 0 EFAALO CC[NH+](CC)Cc1nnc2sc([C@H]3COc4ccccc4O3)nn12 ZINC000067239821 472009435 /nfs/dbraw/zinc/00/94/35/472009435.db2.gz MLKCJTBYCXZPJZ-CYBMUJFWSA-N 1 2 345.428 2.540 50 0 EFAALO C[N@H+](Cc1nnc2sc(-c3ccccn3)nn12)Cc1ccccc1 ZINC000067239863 472009460 /nfs/dbraw/zinc/00/94/60/472009460.db2.gz YPNHQVKNCKJCPR-UHFFFAOYSA-N 1 2 336.424 2.880 50 0 EFAALO C[N@@H+](Cc1nnc2sc(-c3ccccn3)nn12)Cc1ccccc1 ZINC000067239863 472009464 /nfs/dbraw/zinc/00/94/64/472009464.db2.gz YPNHQVKNCKJCPR-UHFFFAOYSA-N 1 2 336.424 2.880 50 0 EFAALO CC(C)(C)C(=O)Nc1ccnc(Cl)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC000038534081 472019627 /nfs/dbraw/zinc/01/96/27/472019627.db2.gz YZRWBLRCNHDVIK-LLVKDONJSA-N 1 2 325.840 2.534 50 0 EFAALO CC(C)(C)C(=O)Nc1ccnc(Cl)c1C[N@H+]1CC[C@@H](CO)C1 ZINC000038534081 472019631 /nfs/dbraw/zinc/01/96/31/472019631.db2.gz YZRWBLRCNHDVIK-LLVKDONJSA-N 1 2 325.840 2.534 50 0 EFAALO Cc1cccnc1CN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000067588517 472054792 /nfs/dbraw/zinc/05/47/92/472054792.db2.gz NRXUUZPYMPZEMC-UHFFFAOYSA-N 1 2 337.427 2.691 50 0 EFAALO Cc1cccnc1C[NH+]1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000067588517 472054801 /nfs/dbraw/zinc/05/48/01/472054801.db2.gz NRXUUZPYMPZEMC-UHFFFAOYSA-N 1 2 337.427 2.691 50 0 EFAALO O=C(NCC(F)(F)F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000054090955 472056781 /nfs/dbraw/zinc/05/67/81/472056781.db2.gz ZQUOEZSCHYOVFB-QPJJXVBHSA-N 1 2 327.350 2.589 50 0 EFAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)C(C)(C)C ZINC000067654543 472066595 /nfs/dbraw/zinc/06/65/95/472066595.db2.gz LIQOZKVGDBDHMP-UHFFFAOYSA-N 1 2 326.444 2.818 50 0 EFAALO Cn1c[nH+]cc1CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067673059 472068238 /nfs/dbraw/zinc/06/82/38/472068238.db2.gz IHXNPCQRUCIAQI-UHFFFAOYSA-N 1 2 336.395 2.582 50 0 EFAALO CCN(CC)c1[nH+]cccc1CNC(=O)c1c(Cl)c(C)nn1C ZINC000067674129 472068601 /nfs/dbraw/zinc/06/86/01/472068601.db2.gz UGQIBGPZTOWPCX-UHFFFAOYSA-N 1 2 335.839 2.553 50 0 EFAALO Cc1nc(C[NH+]2CCC(O)(c3ccc(C)cn3)CC2)c2ccccn12 ZINC000067677498 472069718 /nfs/dbraw/zinc/06/97/18/472069718.db2.gz NNBCLNMEGGWHAC-UHFFFAOYSA-N 1 2 336.439 2.830 50 0 EFAALO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)Cc3nc(C(C)C)no3)cc2c1 ZINC000067688598 472072266 /nfs/dbraw/zinc/07/22/66/472072266.db2.gz RVEAKXUXBZHSPG-UHFFFAOYSA-N 1 2 326.400 2.975 50 0 EFAALO Cc1ccc2[nH]c(=O)c(C[N@H+](C)Cc3nc(C(C)C)no3)cc2c1 ZINC000067688598 472072272 /nfs/dbraw/zinc/07/22/72/472072272.db2.gz RVEAKXUXBZHSPG-UHFFFAOYSA-N 1 2 326.400 2.975 50 0 EFAALO CN(Cc1[nH+]ccn1C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067714079 472078399 /nfs/dbraw/zinc/07/83/99/472078399.db2.gz YTBMXHXZRGMSGN-UHFFFAOYSA-N 1 2 332.411 2.762 50 0 EFAALO Cc1nc[nH]c1C(=O)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000067714359 472078639 /nfs/dbraw/zinc/07/86/39/472078639.db2.gz ZMLQQPUNTKFYIF-UHFFFAOYSA-N 1 2 327.432 2.814 50 0 EFAALO O=C(C[C@@H]1SC(=O)N(C[NH+]2CCCCC2)C1=O)Nc1ccccc1 ZINC000054360497 472080820 /nfs/dbraw/zinc/08/08/20/472080820.db2.gz SHYRSIYFQRVXHH-AWEZNQCLSA-N 1 2 347.440 2.523 50 0 EFAALO Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)Cc2ccccc2)no1 ZINC000067769684 472086765 /nfs/dbraw/zinc/08/67/65/472086765.db2.gz ABSBKZNHNQLOSB-UHFFFAOYSA-N 1 2 336.395 2.944 50 0 EFAALO COc1cc2cc(C[N@H+](C)[C@H](C)c3ccon3)c(=O)[nH]c2cc1OC ZINC000067773204 472087910 /nfs/dbraw/zinc/08/79/10/472087910.db2.gz GFNOGHCBUQGOFJ-LLVKDONJSA-N 1 2 343.383 2.726 50 0 EFAALO COc1cc2cc(C[N@@H+](C)[C@H](C)c3ccon3)c(=O)[nH]c2cc1OC ZINC000067773204 472087913 /nfs/dbraw/zinc/08/79/13/472087913.db2.gz GFNOGHCBUQGOFJ-LLVKDONJSA-N 1 2 343.383 2.726 50 0 EFAALO Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000067774588 472088444 /nfs/dbraw/zinc/08/84/44/472088444.db2.gz SLDRWYLMRQWQKK-KRWDZBQOSA-N 1 2 349.438 2.988 50 0 EFAALO Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000067774588 472088451 /nfs/dbraw/zinc/08/84/51/472088451.db2.gz SLDRWYLMRQWQKK-KRWDZBQOSA-N 1 2 349.438 2.988 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)C1(O)CCCC1 ZINC000067842801 472096321 /nfs/dbraw/zinc/09/63/21/472096321.db2.gz UIJQAPRVBZGHDZ-UHFFFAOYSA-N 1 2 339.439 2.639 50 0 EFAALO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cc2ccc(SC)cc2[nH]c1=O ZINC000067921385 472109997 /nfs/dbraw/zinc/10/99/97/472109997.db2.gz KOMBVJOEJCTAAR-MRXNPFEDSA-N 1 2 346.452 2.778 50 0 EFAALO COC(=O)[C@H]1CCCC[N@H+]1Cc1cc2ccc(SC)cc2[nH]c1=O ZINC000067921385 472110002 /nfs/dbraw/zinc/11/00/02/472110002.db2.gz KOMBVJOEJCTAAR-MRXNPFEDSA-N 1 2 346.452 2.778 50 0 EFAALO CCCN(CC)C(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000067935247 472111299 /nfs/dbraw/zinc/11/12/99/472111299.db2.gz OATDZSBVFAFZEV-UHFFFAOYSA-N 1 2 325.416 2.988 50 0 EFAALO COc1cccc(SCC(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000067934329 472111480 /nfs/dbraw/zinc/11/14/80/472111480.db2.gz LZQGZQTYMSKSCD-UHFFFAOYSA-N 1 2 331.441 2.565 50 0 EFAALO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000042103852 472113488 /nfs/dbraw/zinc/11/34/88/472113488.db2.gz ZVFHTQMOOLMPFX-LBPRGKRZSA-N 1 2 334.383 2.889 50 0 EFAALO CC[C@H](NC(=O)c1cc(C[NH+]2CCC(O)CC2)on1)c1ccccc1 ZINC000067982968 472118752 /nfs/dbraw/zinc/11/87/52/472118752.db2.gz IGIZPAOWNDOUQJ-KRWDZBQOSA-N 1 2 343.427 2.512 50 0 EFAALO COc1ccc2[nH]c(CCN(C)C(=O)c3cc(C(C)C)on3)[nH+]c2c1 ZINC000067982644 472118938 /nfs/dbraw/zinc/11/89/38/472118938.db2.gz MEGVZQXVUKPXNU-UHFFFAOYSA-N 1 2 342.399 2.998 50 0 EFAALO CCc1nn(C)c(Cl)c1C[N@H+](Cc1cccnc1)[C@H](CC)CO ZINC000055195522 472150863 /nfs/dbraw/zinc/15/08/63/472150863.db2.gz DXPWWTWGNJMJAN-CQSZACIVSA-N 1 2 336.867 2.804 50 0 EFAALO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1cccnc1)[C@H](CC)CO ZINC000055195522 472150870 /nfs/dbraw/zinc/15/08/70/472150870.db2.gz DXPWWTWGNJMJAN-CQSZACIVSA-N 1 2 336.867 2.804 50 0 EFAALO CCn1c[nH+]cc1CNC(=O)[C@H](C)N1c2cccc3cccc(c23)C1=O ZINC000055211796 472152528 /nfs/dbraw/zinc/15/25/28/472152528.db2.gz UIWWIYNILJRDJA-ZDUSSCGKSA-N 1 2 348.406 2.721 50 0 EFAALO O=C(c1cc2ccccc2o1)N1CC[NH+](C[C@@H](O)c2ccco2)CC1 ZINC000027215170 472167811 /nfs/dbraw/zinc/16/78/11/472167811.db2.gz BERHMZORYGFLPU-OAHLLOKOSA-N 1 2 340.379 2.517 50 0 EFAALO CCc1cccc(NC(=O)CCC(=O)N(C)Cc2[nH]cc(C)[nH+]2)c1 ZINC000055344307 472172517 /nfs/dbraw/zinc/17/25/17/472172517.db2.gz CEOUYOWHVGQNCV-UHFFFAOYSA-N 1 2 328.416 2.658 50 0 EFAALO COCC[N@H+](Cc1cccc(C(=O)OC)n1)Cc1ccccc1F ZINC000055358171 472173074 /nfs/dbraw/zinc/17/30/74/472173074.db2.gz JLMUCXJHMJLIHN-UHFFFAOYSA-N 1 2 332.375 2.656 50 0 EFAALO COCC[N@@H+](Cc1cccc(C(=O)OC)n1)Cc1ccccc1F ZINC000055358171 472173078 /nfs/dbraw/zinc/17/30/78/472173078.db2.gz JLMUCXJHMJLIHN-UHFFFAOYSA-N 1 2 332.375 2.656 50 0 EFAALO COCCN(Cc1sccc1C)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000055360050 472173094 /nfs/dbraw/zinc/17/30/94/472173094.db2.gz RKTMTNMSUCDLTP-UHFFFAOYSA-N 1 2 347.484 2.559 50 0 EFAALO COCCN(Cc1sccc1C)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000055360050 472173100 /nfs/dbraw/zinc/17/31/00/472173100.db2.gz RKTMTNMSUCDLTP-UHFFFAOYSA-N 1 2 347.484 2.559 50 0 EFAALO Cc1cc(C)c(C[NH2+]Cc2noc([C@H]3CCCO3)n2)c(C)c1CO ZINC000055393198 472178286 /nfs/dbraw/zinc/17/82/86/472178286.db2.gz CNVVFLORXBGJSH-MRXNPFEDSA-N 1 2 331.416 2.628 50 0 EFAALO O=C(NCCn1cc[nH+]c1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000043947651 472275330 /nfs/dbraw/zinc/27/53/30/472275330.db2.gz JGSWLSIPNSQNFS-UHFFFAOYSA-N 1 2 343.390 2.923 50 0 EFAALO O=C(COc1ccc(F)cc1)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043975726 472277497 /nfs/dbraw/zinc/27/74/97/472277497.db2.gz OQIJLJILTDJFFD-UHFFFAOYSA-N 1 2 343.402 2.632 50 0 EFAALO COc1cccc(SCC(=O)N(Cc2[nH+]ccn2C)C2CC2)c1 ZINC000044580245 472318879 /nfs/dbraw/zinc/31/88/79/472318879.db2.gz DBWJQPHMIOWYFM-UHFFFAOYSA-N 1 2 331.441 2.712 50 0 EFAALO O=C1OCCN1c1ccccc1Nc1cc(N2CCCC2)cn[nH+]1 ZINC000096879123 472399886 /nfs/dbraw/zinc/39/98/86/472399886.db2.gz HLPVDEXLNXIUGR-UHFFFAOYSA-N 1 2 325.372 2.777 50 0 EFAALO Cc1cccn2c(CC(=O)NCCCN(C)c3ccccc3)c[nH+]c12 ZINC000097088119 472442051 /nfs/dbraw/zinc/44/20/51/472442051.db2.gz KXNISILUHSNWFL-UHFFFAOYSA-N 1 2 336.439 2.828 50 0 EFAALO CC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N1CC[NH+](C)CC1 ZINC000057791448 472475098 /nfs/dbraw/zinc/47/50/98/472475098.db2.gz PFSJJBJEQLDVGC-UHFFFAOYSA-N 1 2 343.452 2.761 50 0 EFAALO C[NH+](C)Cc1nc(C(=O)NCCCn2ccc3ccccc32)cs1 ZINC000097307476 472490997 /nfs/dbraw/zinc/49/09/97/472490997.db2.gz MTVHACVDCNQHFT-UHFFFAOYSA-N 1 2 342.468 2.980 50 0 EFAALO Cc1ccc(NC(=O)NC[C@@H](C)n2cc[nH+]c2)cc1N1CCCC1=O ZINC000097446980 472496183 /nfs/dbraw/zinc/49/61/83/472496183.db2.gz PSPFETBEJAWCHG-CQSZACIVSA-N 1 2 341.415 2.701 50 0 EFAALO CCN(CC)C(=O)c1ccc(NC(=O)NCCc2c[nH+]c[nH]2)c(C)c1 ZINC000097413173 472496959 /nfs/dbraw/zinc/49/69/59/472496959.db2.gz SNWMLIUTXXSWHL-UHFFFAOYSA-N 1 2 343.431 2.564 50 0 EFAALO CCN(CC)C(=O)c1ccc(NC(=O)NCCc2c[nH]c[nH+]2)c(C)c1 ZINC000097413173 472496963 /nfs/dbraw/zinc/49/69/63/472496963.db2.gz SNWMLIUTXXSWHL-UHFFFAOYSA-N 1 2 343.431 2.564 50 0 EFAALO O=C(CCc1cn2ccccc2[nH+]1)NCCN1CCCc2ccccc21 ZINC000097499583 472499613 /nfs/dbraw/zinc/49/96/13/472499613.db2.gz ZDKDXDIXIBBOOG-UHFFFAOYSA-N 1 2 348.450 2.836 50 0 EFAALO COc1ccc2cc(C(=O)N(Cc3[nH+]ccn3C)C(C)C)n(C)c2c1 ZINC000097657251 472503260 /nfs/dbraw/zinc/50/32/60/472503260.db2.gz QJTYCCAADOXRTL-UHFFFAOYSA-N 1 2 340.427 2.971 50 0 EFAALO COCCc1noc([C@H]2CCC[N@H+](Cc3coc(C(C)C)n3)C2)n1 ZINC000097757806 472507241 /nfs/dbraw/zinc/50/72/41/472507241.db2.gz HPSCEKXRZKHPRG-ZDUSSCGKSA-N 1 2 334.420 2.750 50 0 EFAALO COCCc1noc([C@H]2CCC[N@@H+](Cc3coc(C(C)C)n3)C2)n1 ZINC000097757806 472507249 /nfs/dbraw/zinc/50/72/49/472507249.db2.gz HPSCEKXRZKHPRG-ZDUSSCGKSA-N 1 2 334.420 2.750 50 0 EFAALO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000097773263 472508596 /nfs/dbraw/zinc/50/85/96/472508596.db2.gz 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472749570 /nfs/dbraw/zinc/74/95/70/472749570.db2.gz UFPRBMXJOCBJFG-UHFFFAOYSA-N 1 2 327.428 2.947 50 0 EFAALO CCCn1ncc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000091327160 472757901 /nfs/dbraw/zinc/75/79/01/472757901.db2.gz HLSCKUMQGBZNBQ-SFHVURJKSA-N 1 2 337.427 2.969 50 0 EFAALO CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000091364585 472760065 /nfs/dbraw/zinc/76/00/65/472760065.db2.gz GDPQONYYRJFUIK-GOSISDBHSA-N 1 2 349.478 2.987 50 0 EFAALO Cn1cc[nH+]c1[C@@H](C1CC1)n1cc(-c2cccc(-n3cccn3)c2)nn1 ZINC000091547425 472776218 /nfs/dbraw/zinc/77/62/18/472776218.db2.gz HOSOTQMDMRYYLW-GOSISDBHSA-N 1 2 345.410 2.864 50 0 EFAALO Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3N2)CC1 ZINC000091616365 472783488 /nfs/dbraw/zinc/78/34/88/472783488.db2.gz UNILFAQKMLAHAW-MRXNPFEDSA-N 1 2 344.846 2.816 50 0 EFAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000091624583 472784425 /nfs/dbraw/zinc/78/44/25/472784425.db2.gz WBENTPJDBKWQCZ-QGZVFWFLSA-N 1 2 327.428 2.826 50 0 EFAALO 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241367426 /nfs/dbraw/zinc/36/74/26/241367426.db2.gz VBARRKMOAUXXAX-HNNXBMFYSA-N 1 2 332.473 2.854 50 0 EFAALO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCOc3ccccc3C2)s1 ZINC000219494545 241390548 /nfs/dbraw/zinc/39/05/48/241390548.db2.gz ZBQBQDPNCHNFDA-UHFFFAOYSA-N 1 2 330.453 2.910 50 0 EFAALO Cc1ccc(CN(C)C(=O)C[N@H+]2CCOc3ccccc3C2)s1 ZINC000219494545 241390554 /nfs/dbraw/zinc/39/05/54/241390554.db2.gz ZBQBQDPNCHNFDA-UHFFFAOYSA-N 1 2 330.453 2.910 50 0 EFAALO O=C(NC[C@@H]1Cc2ccccc2CO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225784324 242034652 /nfs/dbraw/zinc/03/46/52/242034652.db2.gz LTWVUPZGQOIXDK-FQEVSTJZSA-N 1 2 347.418 2.803 50 0 EFAALO CNC(=O)c1noc(C[N@H+](Cc2ccc(C)s2)C2CCCC2)n1 ZINC000244715824 243063868 /nfs/dbraw/zinc/06/38/68/243063868.db2.gz LDCROTUOOPCUTK-UHFFFAOYSA-N 1 2 334.445 2.744 50 0 EFAALO CNC(=O)c1noc(C[N@@H+](Cc2ccc(C)s2)C2CCCC2)n1 ZINC000244715824 243063874 /nfs/dbraw/zinc/06/38/74/243063874.db2.gz LDCROTUOOPCUTK-UHFFFAOYSA-N 1 2 334.445 2.744 50 0 EFAALO Cc1ccn2cc(CN(C)Cc3nc(-c4ccccn4)no3)[nH+]c2c1 ZINC000244605539 243045516 /nfs/dbraw/zinc/04/55/16/243045516.db2.gz FAKBBWWSRFTJFO-UHFFFAOYSA-N 1 2 334.383 2.720 50 0 EFAALO CCSc1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)s1 ZINC000244633394 243047135 /nfs/dbraw/zinc/04/71/35/243047135.db2.gz GCEMTPRXFWTSAJ-VIFPVBQESA-N 1 2 326.447 2.875 50 0 EFAALO CCSc1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)s1 ZINC000244633394 243047137 /nfs/dbraw/zinc/04/71/37/243047137.db2.gz GCEMTPRXFWTSAJ-VIFPVBQESA-N 1 2 326.447 2.875 50 0 EFAALO CCc1nnc(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)o1 ZINC000244633348 243048185 /nfs/dbraw/zinc/04/81/85/243048185.db2.gz GBJUDYKXEUOVMZ-QGZVFWFLSA-N 1 2 346.406 2.615 50 0 EFAALO CCc1[nH+]ccn1CC(=O)N1CCC[C@H]1c1nc2cccc(C)c2[nH]1 ZINC000244659622 243049925 /nfs/dbraw/zinc/04/99/25/243049925.db2.gz HGANFSGFCPUJHB-HNNXBMFYSA-N 1 2 337.427 2.994 50 0 EFAALO Cn1c2ccccc2cc(C[NH+]2CC(Oc3ccccc3F)C2)c1=O ZINC000244673981 243055508 /nfs/dbraw/zinc/05/55/08/243055508.db2.gz HZFWBQULYZVITH-UHFFFAOYSA-N 1 2 338.382 2.941 50 0 EFAALO C[N@H+](CC(=O)NCCc1nc2c(s1)CCC2)Cc1ccccc1F ZINC000244811564 243085905 /nfs/dbraw/zinc/08/59/05/243085905.db2.gz SGYDKZDFPODVQS-UHFFFAOYSA-N 1 2 347.459 2.562 50 0 EFAALO C[N@@H+](CC(=O)NCCc1nc2c(s1)CCC2)Cc1ccccc1F ZINC000244811564 243085907 /nfs/dbraw/zinc/08/59/07/243085907.db2.gz SGYDKZDFPODVQS-UHFFFAOYSA-N 1 2 347.459 2.562 50 0 EFAALO COc1cccc(C(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1OC ZINC000244873451 243091628 /nfs/dbraw/zinc/09/16/28/243091628.db2.gz WQPJQVAHYRHMSC-UHFFFAOYSA-N 1 2 342.395 2.782 50 0 EFAALO CCc1n[nH]c2c1C[N@H+](Cc1cc(C(N)=O)oc1C(C)(C)C)CC2 ZINC000244873380 243092788 /nfs/dbraw/zinc/09/27/88/243092788.db2.gz WPGQYKWYHVCOFV-UHFFFAOYSA-N 1 2 330.432 2.520 50 0 EFAALO CCc1n[nH]c2c1C[N@@H+](Cc1cc(C(N)=O)oc1C(C)(C)C)CC2 ZINC000244873380 243092794 /nfs/dbraw/zinc/09/27/94/243092794.db2.gz WPGQYKWYHVCOFV-UHFFFAOYSA-N 1 2 330.432 2.520 50 0 EFAALO CCc1[nH]nc2c1C[N@H+](Cc1cc(C(N)=O)oc1C(C)(C)C)CC2 ZINC000244873380 243092799 /nfs/dbraw/zinc/09/27/99/243092799.db2.gz WPGQYKWYHVCOFV-UHFFFAOYSA-N 1 2 330.432 2.520 50 0 EFAALO CCc1[nH]nc2c1C[N@@H+](Cc1cc(C(N)=O)oc1C(C)(C)C)CC2 ZINC000244873380 243092804 /nfs/dbraw/zinc/09/28/04/243092804.db2.gz WPGQYKWYHVCOFV-UHFFFAOYSA-N 1 2 330.432 2.520 50 0 EFAALO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1cnc2ccccc2n1 ZINC000244742251 243071816 /nfs/dbraw/zinc/07/18/16/243071816.db2.gz OEKNBUNMQUOGAP-CQSZACIVSA-N 1 2 326.444 2.899 50 0 EFAALO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000244742251 243071822 /nfs/dbraw/zinc/07/18/22/243071822.db2.gz OEKNBUNMQUOGAP-CQSZACIVSA-N 1 2 326.444 2.899 50 0 EFAALO Cc1cc2c(nc1C)sc1c2ncnc1NCC[NH+]1CCOCC1 ZINC000020676169 212162071 /nfs/dbraw/zinc/16/20/71/212162071.db2.gz VKVAYOHRFTUUBR-UHFFFAOYSA-N 1 2 343.456 2.600 50 0 EFAALO COc1ccc(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000020539676 212145750 /nfs/dbraw/zinc/14/57/50/212145750.db2.gz YMPFUCNEVJDGQR-KRWDZBQOSA-N 1 2 346.496 2.826 50 0 EFAALO COc1ccc(C[N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000020539676 212145753 /nfs/dbraw/zinc/14/57/53/212145753.db2.gz YMPFUCNEVJDGQR-KRWDZBQOSA-N 1 2 346.496 2.826 50 0 EFAALO O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/C[NH+]1CCOCC1 ZINC000020445273 212129200 /nfs/dbraw/zinc/12/92/00/212129200.db2.gz VHSRKAKCXUMQQR-SBLNNXNXSA-N 1 2 330.428 2.676 50 0 EFAALO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)NC1CCCCC1 ZINC000020457831 212132833 /nfs/dbraw/zinc/13/28/33/212132833.db2.gz YUTSQQUUCZRSJO-UHFFFAOYSA-N 1 2 349.906 2.907 50 0 EFAALO O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)NC1CCCCC1 ZINC000020457831 212132836 /nfs/dbraw/zinc/13/28/36/212132836.db2.gz YUTSQQUUCZRSJO-UHFFFAOYSA-N 1 2 349.906 2.907 50 0 EFAALO O=C(CN1CC[NH+](Cc2ccc(F)cc2)CC1)NC1CCCCCC1 ZINC000020457834 212132580 /nfs/dbraw/zinc/13/25/80/212132580.db2.gz CNOJUVLFKPKYGC-UHFFFAOYSA-N 1 2 347.478 2.782 50 0 EFAALO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000020408234 212126676 /nfs/dbraw/zinc/12/66/76/212126676.db2.gz PZSWYTWGNOXOBA-UHFFFAOYSA-N 1 2 341.430 2.890 50 0 EFAALO O=c1cc(C[NH+]2CCOCC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000020412450 212126352 /nfs/dbraw/zinc/12/63/52/212126352.db2.gz FUQUYHIHEGPBJP-UHFFFAOYSA-N 1 2 337.375 2.998 50 0 biogenic EFAALO CC[C@@H](O)CNc1nc(SC)nc2sc3c(c21)CC[N@H+](C)C3 ZINC000020358668 212122913 /nfs/dbraw/zinc/12/29/13/212122913.db2.gz PKSJCVCCSZSDHK-SECBINFHSA-N 1 2 338.502 2.584 50 0 EFAALO CC[C@@H](O)CNc1nc(SC)nc2sc3c(c21)CC[N@@H+](C)C3 ZINC000020358668 212122914 /nfs/dbraw/zinc/12/29/14/212122914.db2.gz PKSJCVCCSZSDHK-SECBINFHSA-N 1 2 338.502 2.584 50 0 EFAALO COc1cccc(C[C@@H]2C[N@H+](Cc3nc(C)c(C)nc3C)CCO2)c1 ZINC000020323750 212119577 /nfs/dbraw/zinc/11/95/77/212119577.db2.gz YWDQQXPCQSXZKX-LJQANCHMSA-N 1 2 341.455 2.854 50 0 EFAALO COc1cccc(C[C@@H]2C[N@@H+](Cc3nc(C)c(C)nc3C)CCO2)c1 ZINC000020323750 212119581 /nfs/dbraw/zinc/11/95/81/212119581.db2.gz YWDQQXPCQSXZKX-LJQANCHMSA-N 1 2 341.455 2.854 50 0 EFAALO C[C@H](C[NH+]1CCN(C)CC1)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000020266655 212115404 /nfs/dbraw/zinc/11/54/04/212115404.db2.gz CYCJMQNRQUSPAW-MRXNPFEDSA-N 1 2 348.487 2.542 50 0 EFAALO C[NH+]1CCN(C(=O)C(Cl)(c2ccccc2)c2ccccc2)CC1 ZINC000020220076 212112937 /nfs/dbraw/zinc/11/29/37/212112937.db2.gz QVVZWEZRJLCCCY-UHFFFAOYSA-N 1 2 328.843 2.943 50 0 EFAALO CCn1c2ccccc2n(C[C@H](O)COc2ccc(C)cc2)c1=[NH2+] ZINC000020065820 212099546 /nfs/dbraw/zinc/09/95/46/212099546.db2.gz MAHQDIHQZPRSIK-HNNXBMFYSA-N 1 2 325.412 2.690 50 0 EFAALO C[C@@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(Cl)cc1Cl ZINC000019877201 212078666 /nfs/dbraw/zinc/07/86/66/212078666.db2.gz OCPGNKKEFBWTNL-NSHDSACASA-N 1 2 348.226 2.636 50 0 EFAALO C[C@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000019877218 212078517 /nfs/dbraw/zinc/07/85/17/212078517.db2.gz VEPNFBINVFZKOL-OAHLLOKOSA-N 1 2 335.444 2.627 50 0 EFAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000019787566 212066939 /nfs/dbraw/zinc/06/69/39/212066939.db2.gz QMORCMISSMKSCG-UHFFFAOYSA-N 1 2 344.480 2.810 50 0 EFAALO COc1cccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1OC ZINC000019789444 212067029 /nfs/dbraw/zinc/06/70/29/212067029.db2.gz MZIALNXCXISMGP-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 EFAALO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000019790214 212066836 /nfs/dbraw/zinc/06/68/36/212066836.db2.gz CWIWEKQCIDOHSB-UHFFFAOYSA-N 1 2 342.414 2.857 50 0 EFAALO Cc1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019683120 212055766 /nfs/dbraw/zinc/05/57/66/212055766.db2.gz YNNCVSUWCSEFAM-UHFFFAOYSA-N 1 2 340.423 2.845 50 0 EFAALO COc1cccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)c1 ZINC000019565308 212044512 /nfs/dbraw/zinc/04/45/12/212044512.db2.gz VHWQIVLYLXQEGB-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 biogenic EFAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(OC)c1 ZINC000019552381 212040894 /nfs/dbraw/zinc/04/08/94/212040894.db2.gz VGRRWOBQJBOGGO-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 biogenic EFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000019551571 212040451 /nfs/dbraw/zinc/04/04/51/212040451.db2.gz SSJSFVKROCZYHL-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 EFAALO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344982 217298918 /nfs/dbraw/zinc/29/89/18/217298918.db2.gz HTRAKACYRBBFDW-LSDHHAIUSA-N 1 2 343.254 2.545 50 0 EFAALO COc1ccccc1CCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000082125985 217473574 /nfs/dbraw/zinc/47/35/74/217473574.db2.gz CHUPXRTYUVRGPL-MRXNPFEDSA-N 1 2 327.428 2.768 50 0 EFAALO OCCn1ccc([C@H]2CCCN(c3cc(C(F)(F)F)cc[nH+]3)C2)n1 ZINC000426399330 247275087 /nfs/dbraw/zinc/27/50/87/247275087.db2.gz BVUAOXAXGUJJFG-LBPRGKRZSA-N 1 2 340.349 2.673 50 0 EFAALO C[C@H](CNC(=O)c1cc(-n2cccn2)ccc1Cl)n1cc[nH+]c1 ZINC000426465312 247283803 /nfs/dbraw/zinc/28/38/03/247283803.db2.gz VKHSLZAUWMDALE-GFCCVEGCSA-N 1 2 329.791 2.713 50 0 EFAALO O=C(c1ccc(-c2ccc3cc[nH]c3c2)cc1)N1CC[NH+](CCO)CC1 ZINC000426473748 247284448 /nfs/dbraw/zinc/28/44/48/247284448.db2.gz YJRPYZONMKUVMM-UHFFFAOYSA-N 1 2 349.434 2.585 50 0 EFAALO Cc1cc(C)n(CCCN(C)c2cc([C@@H]3CCOC3)[nH+]c(C)n2)n1 ZINC000426487404 247287488 /nfs/dbraw/zinc/28/74/88/247287488.db2.gz OBMBRCOJCOELKX-MRXNPFEDSA-N 1 2 329.448 2.629 50 0 EFAALO Cc1ccc2[nH]c(CCCNC(=O)CCc3cnccn3)[nH+]c2c1C ZINC000426379688 247270248 /nfs/dbraw/zinc/27/02/48/247270248.db2.gz KLOOVSSNLXPPTC-UHFFFAOYSA-N 1 2 337.427 2.651 50 0 EFAALO CSCCCNC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)on1 ZINC000012433822 211380779 /nfs/dbraw/zinc/38/07/79/211380779.db2.gz NHIAAXBWXMELLF-UHFFFAOYSA-N 1 2 344.440 2.864 50 0 EFAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000091462176 218009516 /nfs/dbraw/zinc/00/95/16/218009516.db2.gz SDUJTSUQBIKOFK-GFCCVEGCSA-N 1 2 333.354 2.578 50 0 EFAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000091468570 218011111 /nfs/dbraw/zinc/01/11/11/218011111.db2.gz JFUNUNANERCFQN-UHFFFAOYSA-N 1 2 327.388 2.764 50 0 EFAALO CCCCn1cc[nH+]c1C1CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC1 ZINC000091492909 218013298 /nfs/dbraw/zinc/01/32/98/218013298.db2.gz MRUOLJWWSFWONV-QGZVFWFLSA-N 1 2 348.491 2.550 50 0 EFAALO CCOc1ncccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC)C1 ZINC000091624556 218033426 /nfs/dbraw/zinc/03/34/26/218033426.db2.gz DYHKJPOSDJPRAT-CQSZACIVSA-N 1 2 328.416 2.717 50 0 EFAALO CCCCc1nc(C[NH+]2CCC(n3nccc3NC(C)=O)CC2)c[nH]1 ZINC000011818979 211251329 /nfs/dbraw/zinc/25/13/29/211251329.db2.gz ZYFKZFGQEMATEQ-UHFFFAOYSA-N 1 2 344.463 2.744 50 0 EFAALO CCCCc1ncc(C[NH+]2CCC(n3nccc3NC(C)=O)CC2)[nH]1 ZINC000011818979 211251336 /nfs/dbraw/zinc/25/13/36/211251336.db2.gz ZYFKZFGQEMATEQ-UHFFFAOYSA-N 1 2 344.463 2.744 50 0 EFAALO O=C(NCCc1nccc(-c2ccccc2)n1)c1ccc2[nH+]ccn2c1 ZINC000091518674 218016725 /nfs/dbraw/zinc/01/67/25/218016725.db2.gz VVWRSXJTTSEGGM-UHFFFAOYSA-N 1 2 343.390 2.764 50 0 EFAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000091563256 218022821 /nfs/dbraw/zinc/02/28/21/218022821.db2.gz HKOMUHIZIRYFPF-AWEZNQCLSA-N 1 2 348.472 2.623 50 0 EFAALO Cc1ccc2[nH+]c(Cn3cc(COCc4ccccc4)nn3)cn2c1 ZINC000091587112 218026747 /nfs/dbraw/zinc/02/67/47/218026747.db2.gz IIZQZWSIXSTUGH-UHFFFAOYSA-N 1 2 333.395 2.999 50 0 EFAALO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cscn3)C2)N1Cc1ccccc1 ZINC000091690300 218048028 /nfs/dbraw/zinc/04/80/28/218048028.db2.gz NYRYWULMPBMPBM-DOTOQJQBSA-N 1 2 327.453 2.766 50 0 EFAALO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3cscn3)C2)N1Cc1ccccc1 ZINC000091690300 218048030 /nfs/dbraw/zinc/04/80/30/218048030.db2.gz NYRYWULMPBMPBM-DOTOQJQBSA-N 1 2 327.453 2.766 50 0 EFAALO CN(Cc1[nH]cc[nH+]1)C(=O)CCc1nnc(CCC2CCCCC2)o1 ZINC000011816642 211249407 /nfs/dbraw/zinc/24/94/07/211249407.db2.gz MGIBVRNMDMFBDK-UHFFFAOYSA-N 1 2 345.447 2.897 50 0 EFAALO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1C ZINC000011663666 211232274 /nfs/dbraw/zinc/23/22/74/211232274.db2.gz HRCLNHPUSFIKOU-HNNXBMFYSA-N 1 2 344.434 2.814 50 0 EFAALO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1C ZINC000011663666 211232280 /nfs/dbraw/zinc/23/22/80/211232280.db2.gz HRCLNHPUSFIKOU-HNNXBMFYSA-N 1 2 344.434 2.814 50 0 EFAALO Cc1cccc2[nH+]c(CNC(=O)c3cn(C4CCCCC4)nn3)cn21 ZINC000011664109 211231692 /nfs/dbraw/zinc/23/16/92/211231692.db2.gz FCZXTBZOWKATAD-UHFFFAOYSA-N 1 2 338.415 2.669 50 0 EFAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000091770091 218063580 /nfs/dbraw/zinc/06/35/80/218063580.db2.gz FTQNZJAOQHSJDO-UHFFFAOYSA-N 1 2 348.472 2.623 50 0 EFAALO CCCN1CCC[C@@]2(CC[N@H+](Cc3noc(C4CCCC4)n3)C2)C1=O ZINC000091935088 218091005 /nfs/dbraw/zinc/09/10/05/218091005.db2.gz YQNRPLJKWDYMCL-IBGZPJMESA-N 1 2 346.475 2.952 50 0 EFAALO CCCN1CCC[C@@]2(CC[N@@H+](Cc3noc(C4CCCC4)n3)C2)C1=O ZINC000091935088 218091006 /nfs/dbraw/zinc/09/10/06/218091006.db2.gz YQNRPLJKWDYMCL-IBGZPJMESA-N 1 2 346.475 2.952 50 0 EFAALO Cc1cc(CC(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)on1 ZINC000091950553 218093853 /nfs/dbraw/zinc/09/38/53/218093853.db2.gz STZGNXCKMFAQDX-UHFFFAOYSA-N 1 2 342.443 2.928 50 0 EFAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc(F)cc1F ZINC000091965457 218096238 /nfs/dbraw/zinc/09/62/38/218096238.db2.gz AHNRVLKCYDQANB-HNNXBMFYSA-N 1 2 337.370 2.771 50 0 EFAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(CO)o2)C1 ZINC000095352752 218287192 /nfs/dbraw/zinc/28/71/92/218287192.db2.gz YOSYKHNUUZBGFX-CQSZACIVSA-N 1 2 331.416 2.788 50 0 EFAALO Cc1ocnc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095367192 218299114 /nfs/dbraw/zinc/29/91/14/218299114.db2.gz GFNTWGPAEIMZAC-OAHLLOKOSA-N 1 2 328.416 2.999 50 0 EFAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c[nH]c(C)cc2=O)C1 ZINC000095363064 218295484 /nfs/dbraw/zinc/29/54/84/218295484.db2.gz VTZUWYCZSGTNDC-OAHLLOKOSA-N 1 2 342.443 2.700 50 0 EFAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 ZINC000095363987 218296597 /nfs/dbraw/zinc/29/65/97/218296597.db2.gz SCPJLXFGHYEFDR-UHFFFAOYSA-N 1 2 348.834 2.826 50 0 EFAALO Cc1ccc([C@H](C(=O)N(C)Cc2cc(C3CC3)[nH]n2)[NH+](C)C)cc1 ZINC000095382130 218314316 /nfs/dbraw/zinc/31/43/16/218314316.db2.gz PVUMCQBSAXDWGX-GOSISDBHSA-N 1 2 326.444 2.857 50 0 EFAALO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1F)c1ccsc1 ZINC000008896409 211015831 /nfs/dbraw/zinc/01/58/31/211015831.db2.gz JIGZIJGZFMICGG-CYBMUJFWSA-N 1 2 346.424 2.608 50 0 EFAALO CC(C)Cc1cc(CNC(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)on1 ZINC000095386761 218317619 /nfs/dbraw/zinc/31/76/19/218317619.db2.gz MRLUVIHKHZKVRR-GOSISDBHSA-N 1 2 327.428 2.546 50 0 EFAALO CC(C)Cc1cc(CNC(=O)[C@H]2Cc3ccccc3C[N@H+]2C)on1 ZINC000095386761 218317622 /nfs/dbraw/zinc/31/76/22/218317622.db2.gz MRLUVIHKHZKVRR-GOSISDBHSA-N 1 2 327.428 2.546 50 0 EFAALO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Br)c1 ZINC000152641179 223994429 /nfs/dbraw/zinc/99/44/29/223994429.db2.gz GEKASAABHYAGOP-AWEZNQCLSA-N 1 2 346.228 2.853 50 0 EFAALO C[NH+]1CCN(NC(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 ZINC000004983260 210347572 /nfs/dbraw/zinc/34/75/72/210347572.db2.gz FRRCMSRUTZSBHH-UHFFFAOYSA-N 1 2 341.484 2.879 50 0 EFAALO CCN(Cc1cnn(CC)c1)C(=O)[C@H](c1ccccc1F)[NH+](C)C ZINC000091756818 285127803 /nfs/dbraw/zinc/12/78/03/285127803.db2.gz VPNVVWDTFXHDPI-KRWDZBQOSA-N 1 2 332.423 2.694 50 0 EFAALO COCCn1c[nH+]cc1CNC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000426544940 257963726 /nfs/dbraw/zinc/96/37/26/257963726.db2.gz GBXPILKLEGDQKC-MRXNPFEDSA-N 1 2 346.431 2.949 50 0 EFAALO C=Cc1cccc(C[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)c1 ZINC000299786580 258093432 /nfs/dbraw/zinc/09/34/32/258093432.db2.gz VRIICRJGEOJBDB-UHFFFAOYSA-N 1 2 346.438 2.944 50 0 EFAALO C=Cc1cccc(C[N@H+]2CCn3nc(CNc4ncccn4)cc3C2)c1 ZINC000299786580 258093434 /nfs/dbraw/zinc/09/34/34/258093434.db2.gz VRIICRJGEOJBDB-UHFFFAOYSA-N 1 2 346.438 2.944 50 0 EFAALO CC(C)c1nnc([C@@H](C)NC(=O)CCc2cn3ccccc3[nH+]2)o1 ZINC000299787046 258093441 /nfs/dbraw/zinc/09/34/41/258093441.db2.gz SSOPXGJTCPVBJP-GFCCVEGCSA-N 1 2 327.388 2.651 50 0 EFAALO Cc1cccn2cc(CNC(=O)[C@@H]3CC(=O)OC34CCCCC4)[nH+]c12 ZINC000299793045 258098206 /nfs/dbraw/zinc/09/82/06/258098206.db2.gz IDCYPGLWCBHUBJ-HNNXBMFYSA-N 1 2 341.411 2.525 50 0 EFAALO CC[C@H](C(=O)NC1(c2ccc(Cl)cc2)CCC1)[NH+]1CCOCC1 ZINC000299798076 258101695 /nfs/dbraw/zinc/10/16/95/258101695.db2.gz 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/nfs/dbraw/zinc/19/15/90/132191590.db2.gz SEDCZUSILYWDIS-UHFFFAOYSA-N 1 2 333.451 2.787 50 0 EFAALO COc1cccc(N2CC[NH+](CC(=O)NC3CCCCCC3)CC2)c1 ZINC000055060354 132193429 /nfs/dbraw/zinc/19/34/29/132193429.db2.gz RVISMUOGALEDSQ-UHFFFAOYSA-N 1 2 345.487 2.656 50 0 EFAALO CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945640 132198330 /nfs/dbraw/zinc/19/83/30/132198330.db2.gz IZUVFUPRCUUGLL-KRWDZBQOSA-N 1 2 345.418 2.808 50 0 EFAALO CC(C)c1nnc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)o1 ZINC000082086963 276073784 /nfs/dbraw/zinc/07/37/84/276073784.db2.gz PMZXGFRQLFCAKF-UHFFFAOYSA-N 1 2 341.415 2.592 50 0 EFAALO C1CCN(c2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)CC1 ZINC000000188423 277759267 /nfs/dbraw/zinc/75/92/67/277759267.db2.gz DBUDAKFVUSPQTP-UHFFFAOYSA-N 1 2 330.480 2.843 50 0 EFAALO CC(C)n1c(C[N@@H+]2CC[C@]3(CN(C)C(=O)O3)C2)nc2ccccc21 ZINC000072447076 278122418 /nfs/dbraw/zinc/12/24/18/278122418.db2.gz XERWUXJCMSWTTE-SFHVURJKSA-N 1 2 328.416 2.644 50 0 EFAALO CC(C)n1c(C[N@H+]2CC[C@]3(CN(C)C(=O)O3)C2)nc2ccccc21 ZINC000072447076 278122421 /nfs/dbraw/zinc/12/24/21/278122421.db2.gz XERWUXJCMSWTTE-SFHVURJKSA-N 1 2 328.416 2.644 50 0 EFAALO O=C(c1ccc[nH]1)N1CCN(Cc2c[nH+]cn2C2CCCCC2)CC1 ZINC000252482675 280205078 /nfs/dbraw/zinc/20/50/78/280205078.db2.gz DLWXZPKNDGXMHT-UHFFFAOYSA-N 1 2 341.459 2.674 50 0 EFAALO CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(C)[NH+]1Cc1ccccc1 ZINC000057478250 281669663 /nfs/dbraw/zinc/66/96/63/281669663.db2.gz DCARUDKGSMTMLI-UHFFFAOYSA-N 1 2 339.420 2.978 50 0 EFAALO Cc1cn2cc(C(=O)N3CCCC[C@@H]3c3nc(C)no3)ccc2[nH+]1 ZINC000223699075 292858699 /nfs/dbraw/zinc/85/86/99/292858699.db2.gz GNWHQMXPTZEBNX-CQSZACIVSA-N 1 2 325.372 2.702 50 0 EFAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@]31c2ccccc2N(C)C1=O ZINC000020064229 295255679 /nfs/dbraw/zinc/25/56/79/295255679.db2.gz FOTLXRGULOUVND-HXUWFJFHSA-N 1 2 333.391 2.542 50 0 biogenic EFAALO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000055183338 303570703 /nfs/dbraw/zinc/57/07/03/303570703.db2.gz MKINZIJVTZNKHY-VJJCQHNBSA-N 1 2 346.515 2.916 50 0 EFAALO O=C([C@@H]1CCCO1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095505788 473215629 /nfs/dbraw/zinc/21/56/29/473215629.db2.gz LKEAECSOOVNQGF-SFHVURJKSA-N 1 2 339.439 2.816 50 0 EFAALO Cc1cc(C)nc(Nc2cccc(C(=O)NCCc3c[nH+]c[nH]3)c2)n1 ZINC000095479084 473212206 /nfs/dbraw/zinc/21/22/06/473212206.db2.gz QNYVPOUDKDYEBL-UHFFFAOYSA-N 1 2 336.399 2.533 50 0 EFAALO Cc1cc(C)nc(Nc2cccc(C(=O)NCCc3c[nH]c[nH+]3)c2)n1 ZINC000095479084 473212210 /nfs/dbraw/zinc/21/22/10/473212210.db2.gz QNYVPOUDKDYEBL-UHFFFAOYSA-N 1 2 336.399 2.533 50 0 EFAALO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NCCc1c[nH+]c[nH]1 ZINC000095479363 473212832 /nfs/dbraw/zinc/21/28/32/473212832.db2.gz MAAUZKFZFOKGOL-UHFFFAOYSA-N 1 2 343.818 2.663 50 0 EFAALO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NCCc1c[nH]c[nH+]1 ZINC000095479363 473212834 /nfs/dbraw/zinc/21/28/34/473212834.db2.gz MAAUZKFZFOKGOL-UHFFFAOYSA-N 1 2 343.818 2.663 50 0 EFAALO CSCCC(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095500332 473214318 /nfs/dbraw/zinc/21/43/18/473214318.db2.gz LZVGXGQJHIHTIJ-UHFFFAOYSA-N 1 2 344.484 2.786 50 0 EFAALO COc1cc(C(=O)N2CCC(c3[nH+]ccn3CC3CC3)CC2)ccn1 ZINC000095503748 473215753 /nfs/dbraw/zinc/21/57/53/473215753.db2.gz CBXYVRISGROWSX-UHFFFAOYSA-N 1 2 340.427 2.717 50 0 EFAALO Cc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2cc(O)ccc2n1C ZINC000095507563 473216752 /nfs/dbraw/zinc/21/67/52/473216752.db2.gz ZGNSDSPRUPCJLS-CYBMUJFWSA-N 1 2 338.411 2.935 50 0 EFAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000095521977 473218943 /nfs/dbraw/zinc/21/89/43/473218943.db2.gz KJYUFRNVCIDKIC-INIZCTEOSA-N 1 2 329.448 2.916 50 0 EFAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]c2=O)C1 ZINC000095528729 473221396 /nfs/dbraw/zinc/22/13/96/473221396.db2.gz ZOHDTWNZZTWBAR-GFCCVEGCSA-N 1 2 348.834 2.826 50 0 EFAALO OC[C@H](Cc1ccco1)Cn1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000082096649 473287400 /nfs/dbraw/zinc/28/74/00/473287400.db2.gz GTWDKAUQRZMPKX-CQSZACIVSA-N 1 2 340.379 2.766 50 0 EFAALO COc1ccc2[nH]c(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2c1 ZINC000082092608 473287703 /nfs/dbraw/zinc/28/77/03/473287703.db2.gz QKEPUSGJTYIFEU-ZDUSSCGKSA-N 1 2 338.411 2.930 50 0 EFAALO OC[C@@H](Cc1ccco1)Cn1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000082096648 473288302 /nfs/dbraw/zinc/28/83/02/473288302.db2.gz GTWDKAUQRZMPKX-AWEZNQCLSA-N 1 2 340.379 2.766 50 0 EFAALO Cc1ccc(OCC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000082108498 473291406 /nfs/dbraw/zinc/29/14/06/473291406.db2.gz MWTHOKGGGUVGAA-MRXNPFEDSA-N 1 2 327.428 2.822 50 0 EFAALO Cc1ccc(-c2cc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)[nH]n2)o1 ZINC000082127786 473294702 /nfs/dbraw/zinc/29/47/02/473294702.db2.gz LNSWSLLRAOZSLF-CQSZACIVSA-N 1 2 339.399 2.727 50 0 EFAALO CCCn1ccnc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082161259 473297405 /nfs/dbraw/zinc/29/74/05/473297405.db2.gz CLTPTYFUYFJYFC-UHFFFAOYSA-N 1 2 339.443 2.692 50 0 EFAALO CCCc1cc(C(=O)N(C)Cc2c(C)[nH+]c3ccccn32)n(C)n1 ZINC000082170959 473298018 /nfs/dbraw/zinc/29/80/18/473298018.db2.gz JMZTYLQLMPGCOM-UHFFFAOYSA-N 1 2 325.416 2.601 50 0 EFAALO C[NH+](C)c1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)cc1 ZINC000096124537 473308516 /nfs/dbraw/zinc/30/85/16/473308516.db2.gz OMBMUNHQQGLFRE-UHFFFAOYSA-N 1 2 330.413 2.602 50 0 EFAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000096133712 473309338 /nfs/dbraw/zinc/30/93/38/473309338.db2.gz XVTVXSPYALPKRR-UHFFFAOYSA-N 1 2 339.374 2.550 50 0 EFAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000096133712 473309345 /nfs/dbraw/zinc/30/93/45/473309345.db2.gz XVTVXSPYALPKRR-UHFFFAOYSA-N 1 2 339.374 2.550 50 0 EFAALO CC(C)Nc1cc(N(C)Cc2cc(-c3cccnc3)no2)nc(N)[nH+]1 ZINC000096148197 473315237 /nfs/dbraw/zinc/31/52/37/473315237.db2.gz RVVQBDMOLKSJJV-UHFFFAOYSA-N 1 2 339.403 2.566 50 0 EFAALO CC(C)Nc1cc(N(C)Cc2cc(-c3cccnc3)no2)[nH+]c(N)n1 ZINC000096148197 473315243 /nfs/dbraw/zinc/31/52/43/473315243.db2.gz RVVQBDMOLKSJJV-UHFFFAOYSA-N 1 2 339.403 2.566 50 0 EFAALO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)Nc1ccccc1 ZINC000000146297 471328465 /nfs/dbraw/zinc/32/84/65/471328465.db2.gz SVFLBYVGPYPEGI-UHFFFAOYSA-N 1 2 337.423 2.520 50 0 EFAALO CC(C)OC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000421120 471356816 /nfs/dbraw/zinc/35/68/16/471356816.db2.gz LWSHJISLKCFUMH-UHFFFAOYSA-N 1 2 328.397 2.859 50 0 EFAALO COc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccccn2)cc1 ZINC000000426499 471358682 /nfs/dbraw/zinc/35/86/82/471358682.db2.gz XOMMIHLZMNIJFR-UHFFFAOYSA-N 1 2 332.367 2.831 50 0 EFAALO CCc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3[nH+]2)s1 ZINC000002961165 471428455 /nfs/dbraw/zinc/42/84/55/471428455.db2.gz LQWKEVBAZZUVOL-UHFFFAOYSA-N 1 2 349.481 2.788 50 0 EFAALO COc1ccc(CCC(=O)NCCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000002960934 471428535 /nfs/dbraw/zinc/42/85/35/471428535.db2.gz JKQKVYFGCJDTHH-UHFFFAOYSA-N 1 2 337.423 2.943 50 0 EFAALO C[C@]1(O)N(CCc2c[nH+]c[nH]2)C(=O)O[C@]1(C)CCc1ccccc1 ZINC000004626199 471470816 /nfs/dbraw/zinc/47/08/16/471470816.db2.gz HEVYMFXTILKURB-QZTJIDSGSA-N 1 2 329.400 2.504 50 0 EFAALO C[C@]1(O)N(CCc2c[nH]c[nH+]2)C(=O)O[C@]1(C)CCc1ccccc1 ZINC000004626199 471470820 /nfs/dbraw/zinc/47/08/20/471470820.db2.gz HEVYMFXTILKURB-QZTJIDSGSA-N 1 2 329.400 2.504 50 0 EFAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1 ZINC000006702418 471560602 /nfs/dbraw/zinc/56/06/02/471560602.db2.gz FEOCFTYCBHLUAB-UHFFFAOYSA-N 1 2 329.444 2.593 50 0 EFAALO COC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCC1)CCCC2 ZINC000006725989 471563656 /nfs/dbraw/zinc/56/36/56/471563656.db2.gz HKJKPPCOLXJGTB-UHFFFAOYSA-N 1 2 336.457 2.838 50 0 EFAALO Cc1[nH+]c2ccccc2n1Cc1nnc2sc(-c3cccnc3)nn12 ZINC000007464986 471616467 /nfs/dbraw/zinc/61/64/67/471616467.db2.gz QOBURZSTDLJSGQ-UHFFFAOYSA-N 1 2 347.407 2.954 50 0 EFAALO CCCCOc1cccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009340456 471714708 /nfs/dbraw/zinc/71/47/08/471714708.db2.gz XTTGOGILDAVHSI-KGLIPLIRSA-N 1 2 340.470 2.519 50 0 EFAALO Cc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@@H](c1cccs1)C2 ZINC000010156556 471729372 /nfs/dbraw/zinc/72/93/72/471729372.db2.gz LZYWFOCWOKVXTM-ZDUSSCGKSA-N 1 2 342.468 2.511 50 0 EFAALO CCN(CC)c1[nH+]cccc1CNC(=O)Cn1ncc2ccccc21 ZINC000012580302 471783454 /nfs/dbraw/zinc/78/34/54/471783454.db2.gz CLPGRJZXWUICKV-UHFFFAOYSA-N 1 2 337.427 2.594 50 0 EFAALO C[N@@H+]1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 ZINC000013127835 471817788 /nfs/dbraw/zinc/81/77/88/471817788.db2.gz VUDUHDYNPYLZGP-UHFFFAOYSA-N 1 2 337.408 2.700 50 0 EFAALO C[N@H+]1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 ZINC000013127835 471817793 /nfs/dbraw/zinc/81/77/93/471817793.db2.gz VUDUHDYNPYLZGP-UHFFFAOYSA-N 1 2 337.408 2.700 50 0 EFAALO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000013325190 471826152 /nfs/dbraw/zinc/82/61/52/471826152.db2.gz NYFYZCRJDUGJMU-UHFFFAOYSA-N 1 2 340.427 2.830 50 0 EFAALO COc1ccc(OC)c([C@H]2NC(=S)N=C3C4CC[NH+](CC4)C32)c1 ZINC000013598751 471834761 /nfs/dbraw/zinc/83/47/61/471834761.db2.gz PGQNBMMYJAYSJK-OAHLLOKOSA-N 1 2 331.441 2.571 50 0 EFAALO S=C1N=NC(c2ccccc2Cl)N1CCC[NH+]1CCOCC1 ZINC000013691060 471839189 /nfs/dbraw/zinc/83/91/89/471839189.db2.gz LHDMEKMVNAHGED-UHFFFAOYSA-N 1 2 338.864 2.610 50 0 EFAALO Cn1c(CCCNC(=O)c2ccc(Cl)nc2)[nH+]c2cc(N)ccc21 ZINC000013721910 471841068 /nfs/dbraw/zinc/84/10/68/471841068.db2.gz AAMRYYRLSHCKIS-UHFFFAOYSA-N 1 2 343.818 2.567 50 0 EFAALO COC(=O)[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000015062698 471887959 /nfs/dbraw/zinc/88/79/59/471887959.db2.gz YBWSFRMYVLMUHG-OAHLLOKOSA-N 1 2 347.390 2.752 50 0 EFAALO COC(=O)[C@H]1CCCC[N@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000015062698 471887963 /nfs/dbraw/zinc/88/79/63/471887963.db2.gz YBWSFRMYVLMUHG-OAHLLOKOSA-N 1 2 347.390 2.752 50 0 EFAALO Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000016474624 471939525 /nfs/dbraw/zinc/93/95/25/471939525.db2.gz ZCEIDPXXJDBPIK-UHFFFAOYSA-N 1 2 341.430 2.573 50 0 EFAALO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000016605527 471944089 /nfs/dbraw/zinc/94/40/89/471944089.db2.gz VEUWCJSYVRKXCM-MRXNPFEDSA-N 1 2 328.412 2.700 50 0 EFAALO COc1cccc2cc(C(=O)N3CC[NH+]=C3c3ccccc3)c(=O)oc21 ZINC000016695937 471947620 /nfs/dbraw/zinc/94/76/20/471947620.db2.gz FYNXLYCEFYOFHV-UHFFFAOYSA-N 1 2 348.358 2.704 50 0 EFAALO FC(F)(F)COCc1ccc(-c2[nH]n3cnc4nncc-4c3[nH+]2)cc1 ZINC000017072340 471955942 /nfs/dbraw/zinc/95/59/42/471955942.db2.gz TYHAGOVZGYJRGK-UHFFFAOYSA-N 1 2 348.288 2.747 50 0 EFAALO COc1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000017071991 471956605 /nfs/dbraw/zinc/95/66/05/471956605.db2.gz LQQOVNUCRPONPL-UHFFFAOYSA-N 1 2 345.399 2.647 50 0 EFAALO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000020246812 471988030 /nfs/dbraw/zinc/98/80/30/471988030.db2.gz ZBZCXRUKPZPMDU-MRXNPFEDSA-N 1 2 348.443 2.890 50 0 EFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000034782384 471992226 /nfs/dbraw/zinc/99/22/26/471992226.db2.gz ZZJRICLMEDANAK-UHFFFAOYSA-N 1 2 346.452 2.805 50 0 EFAALO Nc1cc(N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)[nH+]cn1 ZINC000067690524 472073063 /nfs/dbraw/zinc/07/30/63/472073063.db2.gz RNYMHRQAHOVOFW-CYBMUJFWSA-N 1 2 338.390 2.972 50 0 EFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000026844294 472151832 /nfs/dbraw/zinc/15/18/32/472151832.db2.gz RLJZOFSNJFILLM-UHFFFAOYSA-N 1 2 338.860 2.819 50 0 EFAALO C[C@]1(c2nc(C3CC3)no2)CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000075876539 472213922 /nfs/dbraw/zinc/21/39/22/472213922.db2.gz WPTYLEQNKASVQJ-KRWDZBQOSA-N 1 2 329.404 2.761 50 0 EFAALO C[C@]1(c2nc(C3CC3)no2)CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000075876539 472213927 /nfs/dbraw/zinc/21/39/27/472213927.db2.gz WPTYLEQNKASVQJ-KRWDZBQOSA-N 1 2 329.404 2.761 50 0 EFAALO C[C@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000043305955 472221567 /nfs/dbraw/zinc/22/15/67/472221567.db2.gz MTMBSZJRGXXRDY-QGZVFWFLSA-N 1 2 338.455 2.713 50 0 EFAALO C[C@@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000043305954 472221660 /nfs/dbraw/zinc/22/16/60/472221660.db2.gz MTMBSZJRGXXRDY-KRWDZBQOSA-N 1 2 338.455 2.713 50 0 EFAALO Cc1ccn2cc(CNC(=O)[C@H](C)Sc3ccccn3)[nH+]c2c1 ZINC000084970426 472231180 /nfs/dbraw/zinc/23/11/80/472231180.db2.gz OEYXYKWKCJYHNH-ZDUSSCGKSA-N 1 2 326.425 2.835 50 0 EFAALO COc1ccc(Cl)cc1NC(=O)Nc1cnc(-n2cc[nH+]c2)nc1 ZINC000085555591 472256068 /nfs/dbraw/zinc/25/60/68/472256068.db2.gz NQFFEPOQKXMPBA-UHFFFAOYSA-N 1 2 344.762 2.968 50 0 EFAALO Cc1ccccc1C(=O)N1CCN(c2cc(-n3cccc3)nc[nH+]2)CC1 ZINC000085557433 472257108 /nfs/dbraw/zinc/25/71/08/472257108.db2.gz CKOOGGAVPCSFHV-UHFFFAOYSA-N 1 2 347.422 2.538 50 0 EFAALO COc1c(C)cc(Cn2nnc(-c3ccc(F)cc3)c2N)[nH+]c1C ZINC000030714500 472347143 /nfs/dbraw/zinc/34/71/43/472347143.db2.gz RODMJHLVEAYLSZ-UHFFFAOYSA-N 1 2 327.363 2.735 50 0 EFAALO CCOC(=O)n1nc2c(c1NC(=O)c1ccccc1F)C[NH2+]C2(C)C ZINC000088383910 472359933 /nfs/dbraw/zinc/35/99/33/472359933.db2.gz XUFXNVFIVQRTOV-UHFFFAOYSA-N 1 2 346.362 2.617 50 0 EFAALO CC(C)Oc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000032624007 472447940 /nfs/dbraw/zinc/44/79/40/472447940.db2.gz HKUDLSJQARNDCQ-UHFFFAOYSA-N 1 2 339.439 2.827 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc(-c3ccco3)n1)C2 ZINC000097198290 472473962 /nfs/dbraw/zinc/47/39/62/472473962.db2.gz WIIPIRIRTJKTOI-LLVKDONJSA-N 1 2 328.397 2.653 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1csc(Br)c1)C2 ZINC000097198367 472474917 /nfs/dbraw/zinc/47/49/17/472474917.db2.gz UBRNZJNGUBSACJ-JTQLQIEISA-N 1 2 340.246 2.760 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C1=Cc3cc(Cl)ccc3OC1)C2 ZINC000097198614 472475292 /nfs/dbraw/zinc/47/52/92/472475292.db2.gz SUOIGPXPSQGIJZ-OAHLLOKOSA-N 1 2 343.814 2.752 50 0 EFAALO CN(C)S(=O)(=O)CCC[N@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000057871767 472487372 /nfs/dbraw/zinc/48/73/72/472487372.db2.gz SFPFVDAUZQDULF-UHFFFAOYSA-N 1 2 348.871 2.725 50 0 EFAALO CN(C)S(=O)(=O)CCC[N@@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000057871767 472487377 /nfs/dbraw/zinc/48/73/77/472487377.db2.gz SFPFVDAUZQDULF-UHFFFAOYSA-N 1 2 348.871 2.725 50 0 EFAALO CCCC[C@H]1C(=O)N(C)CC[N@H+]1Cc1cnn(-c2cccc(F)c2)c1 ZINC000077302442 472496504 /nfs/dbraw/zinc/49/65/04/472496504.db2.gz WSPFYZRAWLEXSN-SFHVURJKSA-N 1 2 344.434 2.844 50 0 EFAALO CCCC[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cnn(-c2cccc(F)c2)c1 ZINC000077302442 472496510 /nfs/dbraw/zinc/49/65/10/472496510.db2.gz WSPFYZRAWLEXSN-SFHVURJKSA-N 1 2 344.434 2.844 50 0 EFAALO COc1ccc(OC2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000077322401 472503859 /nfs/dbraw/zinc/50/38/59/472503859.db2.gz AQWWLPCBOVLPPT-OAHLLOKOSA-N 1 2 343.427 2.913 50 0 EFAALO CC(C)c1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(=O)[nH]1 ZINC000097805789 472507984 /nfs/dbraw/zinc/50/79/84/472507984.db2.gz CAXKXEYBESKMJA-HNNXBMFYSA-N 1 2 330.432 2.540 50 0 EFAALO COc1ccccc1OC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000077341025 472508267 /nfs/dbraw/zinc/50/82/67/472508267.db2.gz CCXDLFIVIWEXRS-OAHLLOKOSA-N 1 2 343.427 2.913 50 0 EFAALO COc1ccc(OC(=O)c2nc(-n3cc[nH+]c3)ncc2Cl)cc1 ZINC000046085611 472510211 /nfs/dbraw/zinc/51/02/11/472510211.db2.gz XTSWXXBEHYGUEU-UHFFFAOYSA-N 1 2 330.731 2.544 50 0 EFAALO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1n[nH]c2ccc(OC)cc21 ZINC000077379876 472516925 /nfs/dbraw/zinc/51/69/25/472516925.db2.gz ZZFNHFASLYZFAO-ZDUSSCGKSA-N 1 2 331.416 2.879 50 0 EFAALO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1n[nH]c2ccc(OC)cc21 ZINC000077379876 472516931 /nfs/dbraw/zinc/51/69/31/472516931.db2.gz ZZFNHFASLYZFAO-ZDUSSCGKSA-N 1 2 331.416 2.879 50 0 EFAALO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058251508 472526705 /nfs/dbraw/zinc/52/67/05/472526705.db2.gz RRWBZMNDJCFYKC-AWEZNQCLSA-N 1 2 344.434 2.775 50 0 EFAALO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058251512 472526789 /nfs/dbraw/zinc/52/67/89/472526789.db2.gz RRWBZMNDJCFYKC-CQSZACIVSA-N 1 2 344.434 2.775 50 0 EFAALO O=C(Cc1ccc(O)c(F)c1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000077437396 472527042 /nfs/dbraw/zinc/52/70/42/472527042.db2.gz GWOVFVDYJQJSRI-HNNXBMFYSA-N 1 2 331.391 2.742 50 0 EFAALO CC(C)CN1CC[N@H+](Cc2c[nH]c3cc(=O)ccc-3c2)[C@@H](C)C1=O ZINC000077487539 472537009 /nfs/dbraw/zinc/53/70/09/472537009.db2.gz QLTIKSXQBPYSGH-AWEZNQCLSA-N 1 2 327.428 2.629 50 0 EFAALO CC(C)CN1CC[N@@H+](Cc2c[nH]c3cc(=O)ccc-3c2)[C@@H](C)C1=O ZINC000077487539 472537016 /nfs/dbraw/zinc/53/70/16/472537016.db2.gz QLTIKSXQBPYSGH-AWEZNQCLSA-N 1 2 327.428 2.629 50 0 EFAALO CCCc1nnc2sc([C@H]3CCCN(c4cccc[nH+]4)C3)nn12 ZINC000071422106 472552498 /nfs/dbraw/zinc/55/24/98/472552498.db2.gz AVFDURHBNOBQFB-LBPRGKRZSA-N 1 2 328.445 2.917 50 0 EFAALO CC(=O)N[C@@H]1CC[N@H+](Cc2nc(-c3cccc(F)c3F)oc2C)C1 ZINC000071661711 472555121 /nfs/dbraw/zinc/55/51/21/472555121.db2.gz QWHJDFWVAMZVSE-GFCCVEGCSA-N 1 2 335.354 2.639 50 0 EFAALO CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(F)c3F)oc2C)C1 ZINC000071661711 472555127 /nfs/dbraw/zinc/55/51/27/472555127.db2.gz QWHJDFWVAMZVSE-GFCCVEGCSA-N 1 2 335.354 2.639 50 0 EFAALO Cc1ccc2[nH]c(C[NH+]3CCC(N4CCCC4=O)CC3)nc2c1C ZINC000071735723 472556084 /nfs/dbraw/zinc/55/60/84/472556084.db2.gz TVCUWTQAVHJJSC-UHFFFAOYSA-N 1 2 326.444 2.767 50 0 EFAALO Cc1ccc2nc(C[NH+]3CCC(N4CCCC4=O)CC3)[nH]c2c1C ZINC000071735723 472556093 /nfs/dbraw/zinc/55/60/93/472556093.db2.gz TVCUWTQAVHJJSC-UHFFFAOYSA-N 1 2 326.444 2.767 50 0 EFAALO CC[C@@H](C(=O)NCc1ccc2[nH]c(C)c(C)c2c1)[NH+]1CCOCC1 ZINC000071730465 472556538 /nfs/dbraw/zinc/55/65/38/472556538.db2.gz FJOGHDNQVTYAPC-SFHVURJKSA-N 1 2 329.444 2.512 50 0 EFAALO c1nc(C[NH+]2CCCC2)sc1-c1nn2c(nnc2C2CC2)s1 ZINC000071712037 472556637 /nfs/dbraw/zinc/55/66/37/472556637.db2.gz QKMSHLROILBCFB-UHFFFAOYSA-N 1 2 332.458 2.783 50 0 EFAALO CCO[C@H]1COC[C@@H]1n1cc[nH+]c1-c1cc(F)ccc1-n1cccn1 ZINC000077564052 472557229 /nfs/dbraw/zinc/55/72/29/472557229.db2.gz PXFQUBOWEILUIO-IRXDYDNUSA-N 1 2 342.374 2.851 50 0 EFAALO CCCCN1C[C@@]2(CCC[N@H+](Cc3noc(CC)n3)C2)CCC1=O ZINC000077565159 472557241 /nfs/dbraw/zinc/55/72/41/472557241.db2.gz GYRZPGYLENTYJH-SFHVURJKSA-N 1 2 334.464 2.637 50 0 EFAALO CCCCN1C[C@@]2(CCC[N@@H+](Cc3noc(CC)n3)C2)CCC1=O ZINC000077565159 472557246 /nfs/dbraw/zinc/55/72/46/472557246.db2.gz 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MDBMMJCNBCWKFV-HXUWFJFHSA-N 1 2 343.446 2.598 50 0 EFAALO COc1ccc(CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000038848955 213228919 /nfs/dbraw/zinc/22/89/19/213228919.db2.gz VIJWEVSWMKAHLW-UHFFFAOYSA-N 1 2 335.407 2.913 50 0 EFAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000038679342 213220869 /nfs/dbraw/zinc/22/08/69/213220869.db2.gz CWAXIMJLCWFULJ-CMDGGOBGSA-N 1 2 325.412 2.649 50 0 EFAALO O=C(NCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000036699891 213111289 /nfs/dbraw/zinc/11/12/89/213111289.db2.gz MAGAREMFMCLKSO-SFHVURJKSA-N 1 2 346.377 2.768 50 0 EFAALO O=C(NCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000036699891 213111292 /nfs/dbraw/zinc/11/12/92/213111292.db2.gz MAGAREMFMCLKSO-SFHVURJKSA-N 1 2 346.377 2.768 50 0 EFAALO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccco1 ZINC000036078831 213060654 /nfs/dbraw/zinc/06/06/54/213060654.db2.gz RHSYVCWZDWRGAQ-CQSZACIVSA-N 1 2 342.848 2.655 50 0 EFAALO CCC[NH+]1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1 ZINC000035800933 213048859 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CN1C[C@@]2(CCC[N@H+](Cc3noc(-c4ccccc4)n3)CC2)OC1=O ZINC000072153485 216042816 /nfs/dbraw/zinc/04/28/16/216042816.db2.gz LZSNDDBHMUEWSB-SFHVURJKSA-N 1 2 342.399 2.543 50 0 EFAALO CN1C[C@@]2(CCC[N@@H+](Cc3noc(-c4ccccc4)n3)CC2)OC1=O ZINC000072153485 216042821 /nfs/dbraw/zinc/04/28/21/216042821.db2.gz LZSNDDBHMUEWSB-SFHVURJKSA-N 1 2 342.399 2.543 50 0 EFAALO O=C(CO[C@@H](c1ccccc1)C(F)(F)F)N1CCn2c[nH+]cc2C1 ZINC000072156486 216045674 /nfs/dbraw/zinc/04/56/74/216045674.db2.gz NBUDNBRNWDYLBW-HNNXBMFYSA-N 1 2 339.317 2.546 50 0 EFAALO CN(C)c1ncc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000072156914 216046584 /nfs/dbraw/zinc/04/65/84/216046584.db2.gz VWKNABIWJHCVJY-UHFFFAOYSA-N 1 2 345.878 2.514 50 0 EFAALO CN(C)c1ncc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000072156914 216046587 /nfs/dbraw/zinc/04/65/87/216046587.db2.gz VWKNABIWJHCVJY-UHFFFAOYSA-N 1 2 345.878 2.514 50 0 EFAALO CC(C)C[C@H]1CCN(c2ccnc(C(=O)NCCc3c[nH+]c[nH]3)c2)C1 ZINC000072157573 216047073 /nfs/dbraw/zinc/04/70/73/216047073.db2.gz 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COc1c(F)cc(C[N@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1Cl ZINC000072432723 216226501 /nfs/dbraw/zinc/22/65/01/216226501.db2.gz XMHAEEBUBGFUGG-MRXNPFEDSA-N 1 2 342.798 2.904 50 0 EFAALO Cc1[nH]nc(CCC(=O)N2CCC[N@H+](Cc3cccs3)CC2)c1C ZINC000072474184 216251193 /nfs/dbraw/zinc/25/11/93/216251193.db2.gz XYHBZORYKHPBIM-UHFFFAOYSA-N 1 2 346.500 2.755 50 0 EFAALO Cc1[nH]nc(CCC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)c1C ZINC000072474184 216251195 /nfs/dbraw/zinc/25/11/95/216251195.db2.gz XYHBZORYKHPBIM-UHFFFAOYSA-N 1 2 346.500 2.755 50 0 EFAALO CCCCCCN1CC2(CC[NH+](Cc3nccn3C)CC2)OC1=O ZINC000072475869 216253092 /nfs/dbraw/zinc/25/30/92/216253092.db2.gz DRDBPRTXIHPXFD-UHFFFAOYSA-N 1 2 334.464 2.787 50 0 EFAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000023757339 212394918 /nfs/dbraw/zinc/39/49/18/212394918.db2.gz FXVMDWOJWHPASD-UHFFFAOYSA-N 1 2 348.443 2.641 50 0 EFAALO Cc1cccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)n1 ZINC000022914692 212334201 /nfs/dbraw/zinc/33/42/01/212334201.db2.gz 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Cc1nnc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)o1 ZINC000216532769 241201984 /nfs/dbraw/zinc/20/19/84/241201984.db2.gz VKSFUTBKLNSLCT-QGZVFWFLSA-N 1 2 346.406 2.703 50 0 EFAALO O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000215361100 241122249 /nfs/dbraw/zinc/12/22/49/241122249.db2.gz YUVOSMFWKIVJCD-QGZVFWFLSA-N 1 2 335.411 2.674 50 0 EFAALO CCCn1cc[nH+]c1CNC(=O)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000215461862 241126878 /nfs/dbraw/zinc/12/68/78/241126878.db2.gz SPWMMMTXPPMCBF-UHFFFAOYSA-N 1 2 331.807 2.682 50 0 EFAALO O=C([O-])COc1ccc(Cl)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000215479611 241129991 /nfs/dbraw/zinc/12/99/91/241129991.db2.gz QIYUJJMZWSWMIT-UHFFFAOYSA-N 1 2 349.818 2.906 50 0 EFAALO OC[C@@H]1COCC[N@@H+]1Cc1ccccc1OCCc1ccccc1 ZINC000215599197 241135130 /nfs/dbraw/zinc/13/51/30/241135130.db2.gz KKFCHEXMLDQPJV-LJQANCHMSA-N 1 2 327.424 2.501 50 0 EFAALO OC[C@@H]1COCC[N@H+]1Cc1ccccc1OCCc1ccccc1 ZINC000215599197 241135134 /nfs/dbraw/zinc/13/51/34/241135134.db2.gz KKFCHEXMLDQPJV-LJQANCHMSA-N 1 2 327.424 2.501 50 0 EFAALO Cc1cc(C)n(CCCC(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)n1 ZINC000219736506 241407161 /nfs/dbraw/zinc/40/71/61/241407161.db2.gz GMGBLDYNDKPZGB-GOSISDBHSA-N 1 2 343.475 2.948 50 0 EFAALO CNc1nc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cs1 ZINC000243885554 243026127 /nfs/dbraw/zinc/02/61/27/243026127.db2.gz AADDRVUNRVQZFS-KRWDZBQOSA-N 1 2 329.425 2.795 50 0 EFAALO CNc1nc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cs1 ZINC000243885554 243026134 /nfs/dbraw/zinc/02/61/34/243026134.db2.gz AADDRVUNRVQZFS-KRWDZBQOSA-N 1 2 329.425 2.795 50 0 EFAALO O=C(CCCn1cc[nH+]c1)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 ZINC000244673587 243053137 /nfs/dbraw/zinc/05/31/37/243053137.db2.gz HSAZTLOLHAPMEQ-RVZJWNSFSA-N 1 2 349.381 2.570 50 0 EFAALO O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000244678447 243054242 /nfs/dbraw/zinc/05/42/42/243054242.db2.gz ICYIBQRLOHRBBN-BQFCYCMXSA-N 1 2 348.406 2.714 50 0 EFAALO Cc1[nH]ncc1CN(C)C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000244817040 243084196 /nfs/dbraw/zinc/08/41/96/243084196.db2.gz STJVEGZCOCIOLS-UHFFFAOYSA-N 1 2 340.471 2.979 50 0 EFAALO CCn1ncc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000020608414 212154059 /nfs/dbraw/zinc/15/40/59/212154059.db2.gz KAHHENRSLFGAMA-UHFFFAOYSA-N 1 2 346.862 2.823 50 0 EFAALO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)Nc1ccccc1F ZINC000020508048 212140967 /nfs/dbraw/zinc/14/09/67/212140967.db2.gz RGJQXVCMROIOMI-UHFFFAOYSA-N 1 2 345.393 2.721 50 0 EFAALO O=C(CN1CC[NH+](Cc2ccccc2Cl)CC1)NC1CCCCC1 ZINC000020495061 212140675 /nfs/dbraw/zinc/14/06/75/212140675.db2.gz OTSSXWNUPBOHDW-UHFFFAOYSA-N 1 2 349.906 2.907 50 0 EFAALO O=C(C[NH+]1CCN(Cc2ccccc2Cl)CC1)NC1CCCCC1 ZINC000020495061 212140678 /nfs/dbraw/zinc/14/06/78/212140678.db2.gz OTSSXWNUPBOHDW-UHFFFAOYSA-N 1 2 349.906 2.907 50 0 EFAALO O=C(CC1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020493943 212140025 /nfs/dbraw/zinc/14/00/25/212140025.db2.gz JFYNMBASFGCUOB-UHFFFAOYSA-N 1 2 330.428 2.640 50 0 EFAALO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n1 ZINC000253536448 244012266 /nfs/dbraw/zinc/01/22/66/244012266.db2.gz FXFKKZKEUUCSKZ-LBPRGKRZSA-N 1 2 341.390 2.886 50 0 EFAALO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n1 ZINC000253536448 244012269 /nfs/dbraw/zinc/01/22/69/244012269.db2.gz FXFKKZKEUUCSKZ-LBPRGKRZSA-N 1 2 341.390 2.886 50 0 EFAALO Cc1nc([C@H]2CCC[N@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n[nH]1 ZINC000253536448 244012275 /nfs/dbraw/zinc/01/22/75/244012275.db2.gz FXFKKZKEUUCSKZ-LBPRGKRZSA-N 1 2 341.390 2.886 50 0 EFAALO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n[nH]1 ZINC000253536448 244012282 /nfs/dbraw/zinc/01/22/82/244012282.db2.gz FXFKKZKEUUCSKZ-LBPRGKRZSA-N 1 2 341.390 2.886 50 0 EFAALO Cc1c[nH]c(C[NH+]2CCN(c3ncccc3Cl)CC2)c(C)c1=O ZINC000253536302 244013004 /nfs/dbraw/zinc/01/30/04/244013004.db2.gz MOUVARMQXZFWPL-UHFFFAOYSA-N 1 2 332.835 2.775 50 0 EFAALO CCc1ccc(CN2CC[N@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)o1 ZINC000020454491 212132016 /nfs/dbraw/zinc/13/20/16/212132016.db2.gz LWIFEZOKWGIGOE-INIZCTEOSA-N 1 2 332.444 2.812 50 0 EFAALO CCc1ccc(CN2CC[N@@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)o1 ZINC000020454491 212132020 /nfs/dbraw/zinc/13/20/20/212132020.db2.gz LWIFEZOKWGIGOE-INIZCTEOSA-N 1 2 332.444 2.812 50 0 EFAALO CCc1ccc(C[N@@H+]2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)o1 ZINC000020454491 212132021 /nfs/dbraw/zinc/13/20/21/212132021.db2.gz LWIFEZOKWGIGOE-INIZCTEOSA-N 1 2 332.444 2.812 50 0 EFAALO CCc1ccc(C[N@H+]2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)o1 ZINC000020454491 212132024 /nfs/dbraw/zinc/13/20/24/212132024.db2.gz LWIFEZOKWGIGOE-INIZCTEOSA-N 1 2 332.444 2.812 50 0 EFAALO CCOC(=O)N1CC[NH+](Cc2cc(=O)oc3ccc(CC)cc23)CC1 ZINC000020412478 212126786 /nfs/dbraw/zinc/12/67/86/212126786.db2.gz NASTVVSEXKPCNK-UHFFFAOYSA-N 1 2 344.411 2.630 50 0 biogenic EFAALO Cc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)o1 ZINC000020344815 212121875 /nfs/dbraw/zinc/12/18/75/212121875.db2.gz LEQBVDURSALKMA-UHFFFAOYSA-N 1 2 342.395 2.583 50 0 EFAALO Cc1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020236172 212114032 /nfs/dbraw/zinc/11/40/32/212114032.db2.gz HSHTVJXYVMHYFP-UHFFFAOYSA-N 1 2 330.453 2.502 50 0 EFAALO Cc1ncc(C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)s1 ZINC000020204499 212110918 /nfs/dbraw/zinc/11/09/18/212110918.db2.gz WWPBZVPUPAYBSB-INIZCTEOSA-N 1 2 349.475 2.659 50 0 EFAALO Cc1ncc(C[N@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)s1 ZINC000020204499 212110923 /nfs/dbraw/zinc/11/09/23/212110923.db2.gz WWPBZVPUPAYBSB-INIZCTEOSA-N 1 2 349.475 2.659 50 0 EFAALO Cc1ncc(CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)s1 ZINC000020204499 212110926 /nfs/dbraw/zinc/11/09/26/212110926.db2.gz WWPBZVPUPAYBSB-INIZCTEOSA-N 1 2 349.475 2.659 50 0 EFAALO Cc1ncc(CN2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)s1 ZINC000020204499 212110928 /nfs/dbraw/zinc/11/09/28/212110928.db2.gz WWPBZVPUPAYBSB-INIZCTEOSA-N 1 2 349.475 2.659 50 0 EFAALO O=C(c1csc(N2CCCCC2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077302193 216868100 /nfs/dbraw/zinc/86/81/00/216868100.db2.gz HADKUBDKAFDFES-ZDUSSCGKSA-N 1 2 345.472 2.876 50 0 EFAALO CC[C@H](C)[N@@H+]1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(OC)cc2)C1 ZINC000019938940 212087476 /nfs/dbraw/zinc/08/74/76/212087476.db2.gz WFBOZAFHPTVTQJ-NSHDSACASA-N 1 2 346.456 2.887 50 0 EFAALO CC[C@H](C)[N@H+]1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(OC)cc2)C1 ZINC000019938940 212087479 /nfs/dbraw/zinc/08/74/79/212087479.db2.gz WFBOZAFHPTVTQJ-NSHDSACASA-N 1 2 346.456 2.887 50 0 EFAALO O=C(CSc1ccccn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019913516 212083351 /nfs/dbraw/zinc/08/33/51/212083351.db2.gz DSKUBBYIAGNXQC-UHFFFAOYSA-N 1 2 327.453 2.518 50 0 EFAALO CCn1cc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000019850575 212076374 /nfs/dbraw/zinc/07/63/74/212076374.db2.gz HHWYOKGVYJRMDI-UHFFFAOYSA-N 1 2 348.834 2.641 50 0 EFAALO C[C@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(Cl)cc1Cl ZINC000019877203 212078470 /nfs/dbraw/zinc/07/84/70/212078470.db2.gz OCPGNKKEFBWTNL-LLVKDONJSA-N 1 2 348.226 2.636 50 0 EFAALO COc1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019832603 212072937 /nfs/dbraw/zinc/07/29/37/212072937.db2.gz XQNYUPVJODSNBW-UHFFFAOYSA-N 1 2 326.396 2.780 50 0 EFAALO COc1cccc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000019831975 212072594 /nfs/dbraw/zinc/07/25/94/212072594.db2.gz VBWUQPYMXJYOPW-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO O=C1c2ccccc2[C@@H]([NH2+]Cc2cccnc2)N1Cc1cccnc1 ZINC000019815116 212071740 /nfs/dbraw/zinc/07/17/40/212071740.db2.gz NFJZOEJZLZTHPD-IBGZPJMESA-N 1 2 330.391 2.921 50 0 EFAALO O=C1c2ccccc2[C@H]([NH2+]Cc2cccnc2)N1Cc1cccnc1 ZINC000019815114 212071961 /nfs/dbraw/zinc/07/19/61/212071961.db2.gz NFJZOEJZLZTHPD-LJQANCHMSA-N 1 2 330.391 2.921 50 0 EFAALO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)c1ccccc1 ZINC000049550646 214018231 /nfs/dbraw/zinc/01/82/31/214018231.db2.gz PUEOJPGGKWIZKN-UHFFFAOYSA-N 1 2 327.380 2.887 50 0 EFAALO CC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/[NH+](C)C ZINC000049952278 214037872 /nfs/dbraw/zinc/03/78/72/214037872.db2.gz UBRDMPNJHKWIKF-MDZDMXLPSA-N 1 2 326.352 2.627 50 0 EFAALO CN(c1cc(NC2CC2)[nH+]cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079439382 217225081 /nfs/dbraw/zinc/22/50/81/217225081.db2.gz QTUVXWGTONGJEK-UHFFFAOYSA-N 1 2 347.463 2.887 50 0 EFAALO CN(c1cc(NC2CC2)nc[nH+]1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079439382 217225085 /nfs/dbraw/zinc/22/50/85/217225085.db2.gz QTUVXWGTONGJEK-UHFFFAOYSA-N 1 2 347.463 2.887 50 0 EFAALO Cn1ccnc1[C@@H](NC(=O)c1cccc(-c2cccc(N)[nH+]2)c1)C1CC1 ZINC000426382851 247272709 /nfs/dbraw/zinc/27/27/09/247272709.db2.gz AVZIMWSGKNTRAX-SFHVURJKSA-N 1 2 347.422 2.945 50 0 EFAALO CNc1cc(C)[nH+]c(-c2ccc(C(=O)NCCSC(C)C)cc2)n1 ZINC000426470808 247284231 /nfs/dbraw/zinc/28/42/31/247284231.db2.gz LMMRZEDWFGHSNA-UHFFFAOYSA-N 1 2 344.484 2.787 50 0 EFAALO O=C(NCc1[nH]cc[nH+]1)N(C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC000426513757 247289805 /nfs/dbraw/zinc/28/98/05/247289805.db2.gz UBDNCPOSHRIAMQ-IOMDMTNGSA-N 1 2 340.427 2.814 50 0 EFAALO O=C(Cc1ccc(Cl)cc1)NCc1cccnc1-n1cc[nH+]c1 ZINC000012317809 211343206 /nfs/dbraw/zinc/34/32/06/211343206.db2.gz GXAFYKDQXZCVGK-UHFFFAOYSA-N 1 2 326.787 2.780 50 0 EFAALO CC[C@@H](COC)NC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)on1 ZINC000012306672 211341430 /nfs/dbraw/zinc/34/14/30/211341430.db2.gz WKHNTNRKOMTEEJ-ZDUSSCGKSA-N 1 2 342.399 2.536 50 0 EFAALO CCN(CC)c1[nH+]cccc1CNC(=O)Nc1ccc2c(c1)OCO2 ZINC000012031749 211281429 /nfs/dbraw/zinc/28/14/29/211281429.db2.gz NVZIEOXADRHIBN-UHFFFAOYSA-N 1 2 342.399 2.978 50 0 EFAALO C[NH+](C)[C@H](C(=O)NCCSc1ccccn1)c1ccccc1F ZINC000091425266 218004491 /nfs/dbraw/zinc/00/44/91/218004491.db2.gz IVMFUHKJSFXIDK-INIZCTEOSA-N 1 2 333.432 2.732 50 0 EFAALO Cn1cc[nH+]c1CN1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000011935309 211271406 /nfs/dbraw/zinc/27/14/06/211271406.db2.gz BPYQKZKWFVURES-OAHLLOKOSA-N 1 2 339.361 2.882 50 0 EFAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000091526474 218018233 /nfs/dbraw/zinc/01/82/33/218018233.db2.gz SALZFVRMDONMSW-QGZVFWFLSA-N 1 2 327.428 2.904 50 0 EFAALO COCC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000091536776 218018990 /nfs/dbraw/zinc/01/89/90/218018990.db2.gz XUFWILMBGRNEJM-IBGZPJMESA-N 1 2 349.475 2.846 50 0 EFAALO COCC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C1 ZINC000091536776 218018992 /nfs/dbraw/zinc/01/89/92/218018992.db2.gz XUFWILMBGRNEJM-IBGZPJMESA-N 1 2 349.475 2.846 50 0 EFAALO O=C(NCCC1CCCCCC1)c1cc(C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000011839348 211253876 /nfs/dbraw/zinc/25/38/76/211253876.db2.gz JAMRPLLGBHXVRQ-MRXNPFEDSA-N 1 2 349.475 2.722 50 0 EFAALO O=C(NCCC1CCCCCC1)c1cc(C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000011839348 211253879 /nfs/dbraw/zinc/25/38/79/211253879.db2.gz JAMRPLLGBHXVRQ-MRXNPFEDSA-N 1 2 349.475 2.722 50 0 EFAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000011819283 211252700 /nfs/dbraw/zinc/25/27/00/211252700.db2.gz MMJFJKVREXZYDR-IBGZPJMESA-N 1 2 349.434 2.737 50 0 EFAALO CC1(C)CN(C(=O)Cn2c3ccccc3[nH+]c2C2CC2)C[C@@]1(C)O ZINC000091691348 218047719 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Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@](C)(O)C(C)(C)C1 ZINC000091873198 218082477 /nfs/dbraw/zinc/08/24/77/218082477.db2.gz ITRBBIKPPBEFBW-IBGZPJMESA-N 1 2 329.444 2.744 50 0 EFAALO O=C(c1cccnc1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091895825 218086325 /nfs/dbraw/zinc/08/63/25/218086325.db2.gz WLDFWGDCJYOVER-UHFFFAOYSA-N 1 2 347.422 2.741 50 0 EFAALO O=C1CCC2(CCN(c3cc[nH+]cc3F)CC2)CN1C[C@H]1CCCO1 ZINC000092004524 218103563 /nfs/dbraw/zinc/10/35/63/218103563.db2.gz HJHKFHPQEORRNY-OAHLLOKOSA-N 1 2 347.434 2.609 50 0 EFAALO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000011232737 211207877 /nfs/dbraw/zinc/20/78/77/211207877.db2.gz AHFNLIXNYPIQFI-UHFFFAOYSA-N 1 2 330.409 2.532 50 0 EFAALO COC(=O)c1sccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000011232737 211207881 /nfs/dbraw/zinc/20/78/81/211207881.db2.gz AHFNLIXNYPIQFI-UHFFFAOYSA-N 1 2 330.409 2.532 50 0 EFAALO Cc1nc(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(C)c(C)[nH+]1 ZINC000092077038 218115758 /nfs/dbraw/zinc/11/57/58/218115758.db2.gz 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MRUWOIKSRCTMME-CYBMUJFWSA-N 1 2 325.759 2.848 50 0 EFAALO Cc1cc(C)n(C[C@@H](C)n2ccnc2C(C)(C)C[NH+]2CCOCC2)n1 ZINC000071388561 472548779 /nfs/dbraw/zinc/54/87/79/472548779.db2.gz AHVXSYDRSBSGAD-QGZVFWFLSA-N 1 2 345.491 2.567 50 0 EFAALO Cc1cc(C)n(C[C@@H](C)n2cc[nH+]c2C(C)(C)CN2CCOCC2)n1 ZINC000071388561 472548788 /nfs/dbraw/zinc/54/87/88/472548788.db2.gz AHVXSYDRSBSGAD-QGZVFWFLSA-N 1 2 345.491 2.567 50 0 EFAALO Cc1nc2ccc(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)cc2nc1C ZINC000095497611 473213668 /nfs/dbraw/zinc/21/36/68/473213668.db2.gz NXJUBIQJQHGEKU-INIZCTEOSA-N 1 2 349.438 3.000 50 0 EFAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000095499496 473213877 /nfs/dbraw/zinc/21/38/77/473213877.db2.gz YVLBWFFXLUDONI-OAHLLOKOSA-N 1 2 331.416 2.759 50 0 EFAALO Cc1cc(C)cc(N2CCN(c3cccc([C@@H](C)O)[nH+]3)CC2=O)c1 ZINC000095525639 473220129 /nfs/dbraw/zinc/22/01/29/473220129.db2.gz MVHCUTHBUHQSQP-OAHLLOKOSA-N 1 2 325.412 2.605 50 0 EFAALO CCSc1nc(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000095524772 473220310 /nfs/dbraw/zinc/22/03/10/473220310.db2.gz BWWBPRWOHPDLLY-NSHDSACASA-N 1 2 336.486 2.927 50 0 EFAALO CN(Cc1noc2c1CCCC2)C(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000095522881 473220372 /nfs/dbraw/zinc/22/03/72/473220372.db2.gz GPHUDYQCSUKRTQ-SFHVURJKSA-N 1 2 339.439 2.569 50 0 EFAALO CN(Cc1noc2c1CCCC2)C(=O)[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000095522881 473220375 /nfs/dbraw/zinc/22/03/75/473220375.db2.gz GPHUDYQCSUKRTQ-SFHVURJKSA-N 1 2 339.439 2.569 50 0 EFAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc2n[nH]cc2c1 ZINC000095523603 473220547 /nfs/dbraw/zinc/22/05/47/473220547.db2.gz DSSFPOUDSRUHEJ-OAHLLOKOSA-N 1 2 326.404 2.996 50 0 EFAALO CCCc1nnsc1C(=O)N(CC)Cc1c[nH+]c2ccccn12 ZINC000096025069 473257247 /nfs/dbraw/zinc/25/72/47/473257247.db2.gz KGDXPQPUUZRHNI-UHFFFAOYSA-N 1 2 329.429 2.801 50 0 EFAALO COc1cc2c(cc1C[N@H+]1Cc3ccccc3[C@H](O)C1)OCCCO2 ZINC000082099730 473289773 /nfs/dbraw/zinc/28/97/73/473289773.db2.gz CBLFFIOOCTVKCJ-QGZVFWFLSA-N 1 2 341.407 2.906 50 0 EFAALO COc1cc2c(cc1C[N@@H+]1Cc3ccccc3[C@H](O)C1)OCCCO2 ZINC000082099730 473289780 /nfs/dbraw/zinc/28/97/80/473289780.db2.gz CBLFFIOOCTVKCJ-QGZVFWFLSA-N 1 2 341.407 2.906 50 0 EFAALO O=C(Cc1ccc(O)cc1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082125432 473291989 /nfs/dbraw/zinc/29/19/89/473291989.db2.gz UYMOUJHERLSRNE-KRWDZBQOSA-N 1 2 339.439 2.947 50 0 EFAALO C[C@H]1CCC(=O)N1c1cccc(NC(=O)NCCCc2[nH]cc[nH+]2)c1 ZINC000096130542 473309576 /nfs/dbraw/zinc/30/95/76/473309576.db2.gz KUQHXTUGYQCZQL-ZDUSSCGKSA-N 1 2 341.415 2.679 50 0 EFAALO Cc1cccc2[nH+]c(C3CCN(c4cc(C(N)=O)ccn4)CC3)[nH]c21 ZINC000096150980 473314085 /nfs/dbraw/zinc/31/40/85/473314085.db2.gz LPGFEYJJKYYYPU-UHFFFAOYSA-N 1 2 335.411 2.749 50 0 EFAALO Cc1cccc2[nH]c(C3CCN(c4cc(C(N)=O)ccn4)CC3)[nH+]c21 ZINC000096150980 473314091 /nfs/dbraw/zinc/31/40/91/473314091.db2.gz LPGFEYJJKYYYPU-UHFFFAOYSA-N 1 2 335.411 2.749 50 0 EFAALO CC[C@H](O)Cn1nc(C(C)C)nc1Cc1c(C)[nH+]c2ccccn21 ZINC000096162802 473322080 /nfs/dbraw/zinc/32/20/80/473322080.db2.gz JNBIZPNQWFVCNS-AWEZNQCLSA-N 1 2 327.432 2.719 50 0 EFAALO O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000096163702 473322150 /nfs/dbraw/zinc/32/21/50/473322150.db2.gz TVHXKLWTDNSQFW-UHFFFAOYSA-N 1 2 339.374 2.959 50 0 EFAALO COC(=O)C[C@@H](c1ccc(O)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096231967 473361105 /nfs/dbraw/zinc/36/11/05/473361105.db2.gz UIFKCMRSKJWQJQ-NSHDSACASA-N 1 2 330.365 2.798 50 0 EFAALO Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccccc2)[nH+]1 ZINC000000178310 471330898 /nfs/dbraw/zinc/33/08/98/471330898.db2.gz PEGPJEMUAPLVGJ-UHFFFAOYSA-N 1 2 329.425 2.597 50 0 EFAALO COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CCO)cc1OC ZINC000000292927 471343554 /nfs/dbraw/zinc/34/35/54/471343554.db2.gz NBAZBKAYEICCIF-UHFFFAOYSA-N 1 2 337.379 2.966 50 0 EFAALO CC(C)(C)NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000415383 471355854 /nfs/dbraw/zinc/35/58/54/471355854.db2.gz DCRXEWOYSLFTLP-UHFFFAOYSA-N 1 2 341.440 2.822 50 0 EFAALO CC[N@H+](CCCn1c(=O)c2cccnc2[nH]c1=S)c1ccccc1 ZINC000000424552 471357592 /nfs/dbraw/zinc/35/75/92/471357592.db2.gz UDTXNKWLXXEPRP-UHFFFAOYSA-N 1 2 340.452 2.997 50 0 EFAALO CC[N@@H+](CCCn1c(=O)c2cccnc2[nH]c1=S)c1ccccc1 ZINC000000424552 471357595 /nfs/dbraw/zinc/35/75/95/471357595.db2.gz UDTXNKWLXXEPRP-UHFFFAOYSA-N 1 2 340.452 2.997 50 0 EFAALO Fc1ccc2[nH]c3c(ncnc3N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000000536890 471369948 /nfs/dbraw/zinc/36/99/48/471369948.db2.gz LIRNUEHEVMDQTP-UHFFFAOYSA-N 1 2 348.385 2.972 50 0 EFAALO Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)[nH+]1 ZINC000001061906 471381519 /nfs/dbraw/zinc/38/15/19/471381519.db2.gz YPURQYDNHNSNTD-UHFFFAOYSA-N 1 2 347.440 2.509 50 0 EFAALO O=C(NCCCn1cc[nH+]c1)c1ccccc1C(=O)c1ccccc1 ZINC000002745355 471419484 /nfs/dbraw/zinc/41/94/84/471419484.db2.gz LVIAKCSZJASKLW-UHFFFAOYSA-N 1 2 333.391 2.934 50 0 EFAALO COc1ccc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc1OC ZINC000002960811 471428620 /nfs/dbraw/zinc/42/86/20/471428620.db2.gz IGNHFJOXSLMCMG-UHFFFAOYSA-N 1 2 325.368 2.590 50 0 EFAALO C[C@H]1CN(c2[nH+]cnc3c2cnn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000004354572 471464382 /nfs/dbraw/zinc/46/43/82/471464382.db2.gz JFMWSKAGSMRHTQ-RYUDHWBXSA-N 1 2 327.363 2.568 50 0 EFAALO Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004832507 471477024 /nfs/dbraw/zinc/47/70/24/471477024.db2.gz KHNPMHSKHAJMKS-INIZCTEOSA-N 1 2 325.412 2.506 50 0 EFAALO S=C(NCc1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000005060992 471485229 /nfs/dbraw/zinc/48/52/29/471485229.db2.gz GSOUUANVMSLDCW-UHFFFAOYSA-N 1 2 346.887 2.932 50 0 EFAALO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1ccc(Cl)c(Cl)c1 ZINC000006699234 471561038 /nfs/dbraw/zinc/56/10/38/471561038.db2.gz YHLXHWJTKKXUFX-UHFFFAOYSA-N 1 2 345.226 2.771 50 0 EFAALO C[NH+]1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1 ZINC000006743713 471565845 /nfs/dbraw/zinc/56/58/45/471565845.db2.gz QQBMFCJEOSTXCC-UHFFFAOYSA-N 1 2 340.423 2.532 50 0 EFAALO Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2n1 ZINC000006796585 471570427 /nfs/dbraw/zinc/57/04/27/471570427.db2.gz FMLYPVRLJCTURW-UHFFFAOYSA-N 1 2 332.407 2.901 50 0 EFAALO Fc1ccc(-n2ncc3c2ncnc3NCCCn2cc[nH+]c2)cc1 ZINC000008582974 471696253 /nfs/dbraw/zinc/69/62/53/471696253.db2.gz XFJZFWLWIYOYKQ-UHFFFAOYSA-N 1 2 337.362 2.653 50 0 EFAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000011664148 471756933 /nfs/dbraw/zinc/75/69/33/471756933.db2.gz UMSFIWSPJIQDGE-UHFFFAOYSA-N 1 2 341.459 2.714 50 0 EFAALO CCCCOc1cccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000011907354 471761160 /nfs/dbraw/zinc/76/11/60/471761160.db2.gz XTTGOGILDAVHSI-UONOGXRCSA-N 1 2 340.470 2.519 50 0 EFAALO COC(=O)C1CC[NH+](Cc2nc(Cc3ccccc3Cl)no2)CC1 ZINC000012612599 471786673 /nfs/dbraw/zinc/78/66/73/471786673.db2.gz DBCSPQIPVVCYMY-UHFFFAOYSA-N 1 2 349.818 2.699 50 0 EFAALO Cc1ncoc1C(=O)NCc1ccc[nH+]c1N(C)Cc1ccccc1 ZINC000012745540 471792762 /nfs/dbraw/zinc/79/27/62/471792762.db2.gz CRFHMYRXTPZNBX-UHFFFAOYSA-N 1 2 336.395 2.944 50 0 EFAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000013324734 471826134 /nfs/dbraw/zinc/82/61/34/471826134.db2.gz UKLCHDPMWNTGBO-UHFFFAOYSA-N 1 2 328.391 2.879 50 0 EFAALO O=C(C[NH+]1CCN(c2ccccc2F)CC1)NCCC1=CCCCC1 ZINC000013323524 471826367 /nfs/dbraw/zinc/82/63/67/471826367.db2.gz YSDMLAMKDSFCFL-UHFFFAOYSA-N 1 2 345.462 2.954 50 0 EFAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000013325069 471826753 /nfs/dbraw/zinc/82/67/53/471826753.db2.gz YLEDDJIZXQAUMZ-UHFFFAOYSA-N 1 2 328.391 2.879 50 0 EFAALO Cn1c(CCNC(=O)c2ccc(F)c(Cl)c2)[nH+]c2cc(N)ccc21 ZINC000013723218 471841393 /nfs/dbraw/zinc/84/13/93/471841393.db2.gz YTIYDGVNYICAMM-UHFFFAOYSA-N 1 2 346.793 2.921 50 0 EFAALO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc2nonc2c1 ZINC000014964060 471882834 /nfs/dbraw/zinc/88/28/34/471882834.db2.gz QMXOYRVVFVPTMM-UHFFFAOYSA-N 1 2 327.369 2.966 50 0 EFAALO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc2nonc2c1 ZINC000014964060 471882843 /nfs/dbraw/zinc/88/28/43/471882843.db2.gz QMXOYRVVFVPTMM-UHFFFAOYSA-N 1 2 327.369 2.966 50 0 EFAALO CN(c1[nH+]cccc1CNC(=O)c1csnn1)C1CCCCC1 ZINC000015078007 471888929 /nfs/dbraw/zinc/88/89/29/471888929.db2.gz ATLDPSSRFADFJL-UHFFFAOYSA-N 1 2 331.445 2.632 50 0 EFAALO COc1cccc(C[NH+]2CCN(C(=O)NCc3ccccc3)CC2)c1 ZINC000016579287 471941318 /nfs/dbraw/zinc/94/13/18/471941318.db2.gz XRXQUKDHQWTUJK-UHFFFAOYSA-N 1 2 339.439 2.723 50 0 EFAALO Cc1ccc(C)c(N2C(=O)C[C@H]([N@@H+]3CCc4ccccc4C3)C2=O)c1 ZINC000018181758 471971117 /nfs/dbraw/zinc/97/11/17/471971117.db2.gz JIWITVPPKVEKGX-IBGZPJMESA-N 1 2 334.419 2.994 50 0 EFAALO Cc1ccc(C)c(N2C(=O)C[C@H]([N@H+]3CCc4ccccc4C3)C2=O)c1 ZINC000018181758 471971119 /nfs/dbraw/zinc/97/11/19/471971119.db2.gz JIWITVPPKVEKGX-IBGZPJMESA-N 1 2 334.419 2.994 50 0 EFAALO O=C(CCCOc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018221741 471973157 /nfs/dbraw/zinc/97/31/57/471973157.db2.gz UNLWICQMOUCWDM-UHFFFAOYSA-N 1 2 325.412 2.589 50 0 EFAALO CCC12CN3CC(CC)(C[NH+](C1)C3c1c[nH]c3ccccc13)C2O ZINC000019323667 471980385 /nfs/dbraw/zinc/98/03/85/471980385.db2.gz MPKYQKPCYFFPQB-UHFFFAOYSA-N 1 2 325.456 2.965 50 0 biogenic EFAALO O=c1c2ccccc2[nH]c(=S)n1CC[N@@H+]1CCc2ccccc2C1 ZINC000020154002 471986410 /nfs/dbraw/zinc/98/64/10/471986410.db2.gz AQIQTUMNNCTEHO-UHFFFAOYSA-N 1 2 337.448 2.744 50 0 EFAALO O=c1c2ccccc2[nH]c(=S)n1CC[N@H+]1CCc2ccccc2C1 ZINC000020154002 471986416 /nfs/dbraw/zinc/98/64/16/471986416.db2.gz AQIQTUMNNCTEHO-UHFFFAOYSA-N 1 2 337.448 2.744 50 0 EFAALO CC(C)N1C[NH+]=C2N[C@@H](c3ccccc3)n3c4ccccc4nc3N2C1 ZINC000020101289 471986924 /nfs/dbraw/zinc/98/69/24/471986924.db2.gz VFKXMZQWIJPCIW-GOSISDBHSA-N 1 2 346.438 2.988 50 0 EFAALO C[N@H+](Cc1cccn1-c1ncccn1)Cc1[nH]nc2c1CCCCC2 ZINC000067514947 472043183 /nfs/dbraw/zinc/04/31/83/472043183.db2.gz RSDZZWPNWLKAIR-UHFFFAOYSA-N 1 2 336.443 2.891 50 0 EFAALO C[N@@H+](Cc1cccn1-c1ncccn1)Cc1[nH]nc2c1CCCCC2 ZINC000067514947 472043188 /nfs/dbraw/zinc/04/31/88/472043188.db2.gz RSDZZWPNWLKAIR-UHFFFAOYSA-N 1 2 336.443 2.891 50 0 EFAALO COc1ccc(CCNc2nc(NCCO)c3ccccc3[nH+]2)cc1 ZINC000024052679 472044510 /nfs/dbraw/zinc/04/45/10/472044510.db2.gz LENYCACZQKQLFL-UHFFFAOYSA-N 1 2 338.411 2.697 50 0 biogenic EFAALO Cc1ccc(NC(=O)c2cccc(C[N@H+](C)Cc3ccno3)c2)nn1 ZINC000067587077 472053833 /nfs/dbraw/zinc/05/38/33/472053833.db2.gz BWPGAXVCOUBYAG-UHFFFAOYSA-N 1 2 337.383 2.657 50 0 EFAALO Cc1ccc(NC(=O)c2cccc(C[N@@H+](C)Cc3ccno3)c2)nn1 ZINC000067587077 472053837 /nfs/dbraw/zinc/05/38/37/472053837.db2.gz BWPGAXVCOUBYAG-UHFFFAOYSA-N 1 2 337.383 2.657 50 0 EFAALO Nc1cc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)[nH+]cn1 ZINC000067690526 472073612 /nfs/dbraw/zinc/07/36/12/472073612.db2.gz RNYMHRQAHOVOFW-ZDUSSCGKSA-N 1 2 338.390 2.972 50 0 EFAALO COc1ccc(CC2(CO)CCN(c3nc(C)[nH+]cc3C)CC2)cc1 ZINC000067723776 472079343 /nfs/dbraw/zinc/07/93/43/472079343.db2.gz IAESGYUGQXKVAI-UHFFFAOYSA-N 1 2 341.455 2.924 50 0 EFAALO O=C(NCCC1=CCCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000042837120 472174166 /nfs/dbraw/zinc/17/41/66/472174166.db2.gz JIRVDUIIOIAEBH-UHFFFAOYSA-N 1 2 328.460 2.799 50 0 EFAALO COc1ccccc1CCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000029078713 472248754 /nfs/dbraw/zinc/24/87/54/472248754.db2.gz WPYIVJLVWXONPG-UHFFFAOYSA-N 1 2 338.411 2.697 50 0 EFAALO COc1ccc(Cl)cc1C(=O)Nc1cnc(-n2cc[nH+]c2C)nc1 ZINC000085470433 472252100 /nfs/dbraw/zinc/25/21/00/472252100.db2.gz JIUIGGKQWYCVHD-UHFFFAOYSA-N 1 2 343.774 2.885 50 0 EFAALO O=S(=O)(NCCCn1cc[nH+]c1-c1ccccc1)c1cccs1 ZINC000085555102 472255528 /nfs/dbraw/zinc/25/55/28/472255528.db2.gz TXPGLRBIUYCGLY-UHFFFAOYSA-N 1 2 347.465 2.980 50 0 EFAALO O=C(NCCOc1ccc(F)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044442531 472307429 /nfs/dbraw/zinc/30/74/29/472307429.db2.gz DNLADBQBQYNHDX-UHFFFAOYSA-N 1 2 339.370 2.879 50 0 EFAALO Clc1cccc(C[NH+]2CCN(c3ncnc4c3CCC4)CC2)c1 ZINC000076920047 472424237 /nfs/dbraw/zinc/42/42/37/472424237.db2.gz UUXFWKHLRMPMGU-UHFFFAOYSA-N 1 2 328.847 2.941 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1nc(-c3ccco3)sc1C)C2 ZINC000097198198 472474153 /nfs/dbraw/zinc/47/41/53/472474153.db2.gz ZIIGMUMQHRFQAX-GFCCVEGCSA-N 1 2 342.424 2.961 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C1(c3cccc(F)c3)CCC1)C2 ZINC000097199235 472475615 /nfs/dbraw/zinc/47/56/15/472475615.db2.gz IGROXVZROPUENN-INIZCTEOSA-N 1 2 327.403 2.884 50 0 EFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(-c3cccc(F)c3)no1)C2 ZINC000097198620 472475861 /nfs/dbraw/zinc/47/58/61/472475861.db2.gz LXLVBYIEWAKKET-CQSZACIVSA-N 1 2 340.358 2.730 50 0 EFAALO CC(C)c1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)n2ncnc2n1 ZINC000097200917 472477219 /nfs/dbraw/zinc/47/72/19/472477219.db2.gz PBLLGAKHABFKGZ-CQSZACIVSA-N 1 2 337.431 2.581 50 0 EFAALO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC000077287077 472494616 /nfs/dbraw/zinc/49/46/16/472494616.db2.gz WOZIKSXHBBJKNJ-HNNXBMFYSA-N 1 2 338.415 2.548 50 0 EFAALO Cc1noc2ncnc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)c12 ZINC000077299109 472496654 /nfs/dbraw/zinc/49/66/54/472496654.db2.gz HIWPOEHTBGGKRF-UHFFFAOYSA-N 1 2 343.818 2.902 50 0 EFAALO CCCOC(=O)N1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000077322526 472504260 /nfs/dbraw/zinc/50/42/60/472504260.db2.gz JHZBJVUSNDOUHG-OAHLLOKOSA-N 1 2 349.479 2.527 50 0 EFAALO O=C(c1c[nH]nc1-c1cccs1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000077342604 472508182 /nfs/dbraw/zinc/50/81/82/472508182.db2.gz FNHCCZZQHNDRPJ-ZDUSSCGKSA-N 1 2 341.440 2.887 50 0 EFAALO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)no1 ZINC000077355045 472511473 /nfs/dbraw/zinc/51/14/73/472511473.db2.gz BIXFNZLQARJLKR-UHFFFAOYSA-N 1 2 328.416 2.541 50 0 EFAALO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)no1 ZINC000077355045 472511476 /nfs/dbraw/zinc/51/14/76/472511476.db2.gz BIXFNZLQARJLKR-UHFFFAOYSA-N 1 2 328.416 2.541 50 0 EFAALO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058208885 472517841 /nfs/dbraw/zinc/51/78/41/472517841.db2.gz LUIMSJFUSBTSRE-HNNXBMFYSA-N 1 2 326.444 2.809 50 0 EFAALO CCCC[C@@H]1C(=O)N(C)CCN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000077421872 472524661 /nfs/dbraw/zinc/52/46/61/472524661.db2.gz ANTXFTCZVVXSKU-GOSISDBHSA-N 1 2 340.471 2.764 50 0 EFAALO C[NH+]1CCC(OCCCn2cc[nH+]c2-c2ccccc2C(=O)[O-])CC1 ZINC000077438146 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Cc1nc([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)no1 ZINC000252501558 474684182 /nfs/dbraw/zinc/68/41/82/474684182.db2.gz UHIWMYIODMOUFC-CQSZACIVSA-N 1 2 325.372 2.808 50 0 EFAALO Cc1nc([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)no1 ZINC000252501558 474684187 /nfs/dbraw/zinc/68/41/87/474684187.db2.gz UHIWMYIODMOUFC-CQSZACIVSA-N 1 2 325.372 2.808 50 0 EFAALO O=C(NC[C@@H](c1ccoc1)[NH+]1CCSCC1)c1cc(C2CC2)on1 ZINC000253400816 474736718 /nfs/dbraw/zinc/73/67/18/474736718.db2.gz LYCHLPNGXDKYGH-HNNXBMFYSA-N 1 2 347.440 2.665 50 0 EFAALO CC(C)n1ccc2c1cccc2OCC(=O)NCCn1cc[nH+]c1 ZINC000253400753 474736972 /nfs/dbraw/zinc/73/69/72/474736972.db2.gz FDTLCKRDMGJFFA-UHFFFAOYSA-N 1 2 326.400 2.614 50 0 EFAALO O=C(c1ccc2ncsc2c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000253397547 474737110 /nfs/dbraw/zinc/73/71/10/474737110.db2.gz FTRPRKBEBMOVFP-CQSZACIVSA-N 1 2 325.393 2.985 50 0 EFAALO O=C([O-])[C@@]12C[N@H+](CCc3[nH]cc[nH+]3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000299776441 476153551 /nfs/dbraw/zinc/15/35/51/476153551.db2.gz BPGNHRSQEJUPIS-ZWOKBUDYSA-N 1 2 339.439 2.923 50 0 EFAALO O=C([O-])[C@@]12C[N@@H+](CCc3[nH]cc[nH+]3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000299776441 476153555 /nfs/dbraw/zinc/15/35/55/476153555.db2.gz BPGNHRSQEJUPIS-ZWOKBUDYSA-N 1 2 339.439 2.923 50 0 EFAALO CCc1cnc(C)nc1-c1cccc(C(=O)NCCc2c[nH+]c[nH]2)c1 ZINC000426434416 477709469 /nfs/dbraw/zinc/70/94/69/477709469.db2.gz FNNYOXXYPHSVRQ-UHFFFAOYSA-N 1 2 335.411 2.710 50 0 EFAALO CCc1cnc(C)nc1-c1cccc(C(=O)NCCc2c[nH]c[nH+]2)c1 ZINC000426434416 477709473 /nfs/dbraw/zinc/70/94/73/477709473.db2.gz FNNYOXXYPHSVRQ-UHFFFAOYSA-N 1 2 335.411 2.710 50 0 EFAALO Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2)c(C)[nH+]1 ZINC000426442954 477710279 /nfs/dbraw/zinc/71/02/79/477710279.db2.gz NLXUBLCVVFCBNP-KRWDZBQOSA-N 1 2 337.423 2.703 50 0 EFAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc2c(cc1C)OCCO2 ZINC000426518671 477711829 /nfs/dbraw/zinc/71/18/29/477711829.db2.gz DPPHQXOSOFERNF-CYBMUJFWSA-N 1 2 330.388 2.563 50 0 EFAALO Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccccc1-c1[nH+]ccn1C ZINC000426658411 477733515 /nfs/dbraw/zinc/73/35/15/477733515.db2.gz OPEVFPQCJRDCLZ-UHFFFAOYSA-N 1 2 337.427 2.742 50 0 EFAALO CN(Cc1[nH]nc2c1CCC2)C(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426662514 477734300 /nfs/dbraw/zinc/73/43/00/477734300.db2.gz VJUHNNLMUIRMKP-UHFFFAOYSA-N 1 2 335.411 2.571 50 0 EFAALO Cc1nc(N(C)Cc2cnc3ccccc3n2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426652965 477734330 /nfs/dbraw/zinc/73/43/30/477734330.db2.gz PGXHJOYOZCXUCK-CQSZACIVSA-N 1 2 335.411 2.869 50 0 EFAALO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000426690264 477738455 /nfs/dbraw/zinc/73/84/55/477738455.db2.gz ITSPJICNQBMZLP-GFCCVEGCSA-N 1 2 347.488 2.676 50 0 EFAALO CCN(C(=O)c1cccc(-c2ccc(C)[nH+]c2C)c1)[C@H](C)C(N)=O ZINC000426697323 477739034 /nfs/dbraw/zinc/73/90/34/477739034.db2.gz KTGHOSKWRWHZEH-CQSZACIVSA-N 1 2 325.412 2.701 50 0 EFAALO CCc1nnc(CNC(=O)Nc2cc3[nH]c[nH+]c3c(C)c2C)s1 ZINC000426724046 477743466 /nfs/dbraw/zinc/74/34/66/477743466.db2.gz UPQKSZYYSRBEEA-UHFFFAOYSA-N 1 2 330.417 2.915 50 0 EFAALO CCc1nnc(CNC(=O)Nc2cc3[nH+]c[nH]c3c(C)c2C)s1 ZINC000426724046 477743472 /nfs/dbraw/zinc/74/34/72/477743472.db2.gz UPQKSZYYSRBEEA-UHFFFAOYSA-N 1 2 330.417 2.915 50 0 EFAALO COCCN(Cc1ccsc1)C(=O)NCc1[nH+]ccn1C(C)C ZINC000534577725 478159877 /nfs/dbraw/zinc/15/98/77/478159877.db2.gz JVLWDGNTLBZZMR-UHFFFAOYSA-N 1 2 336.461 2.884 50 0 EFAALO O=C(N[C@H]1CCOC1)c1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000534578199 478159896 /nfs/dbraw/zinc/15/98/96/478159896.db2.gz DKGYSCQRTSUWCV-SFHVURJKSA-N 1 2 348.406 2.512 50 0 EFAALO O=C(N[C@@H]1CCOC1)c1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000534578197 478160244 /nfs/dbraw/zinc/16/02/44/478160244.db2.gz DKGYSCQRTSUWCV-GOSISDBHSA-N 1 2 348.406 2.512 50 0 EFAALO CC[C@@H](NC(=O)C1([NH+]2CCOCC2)CCCCC1)c1cccnc1 ZINC000534592710 478162510 /nfs/dbraw/zinc/16/25/10/478162510.db2.gz WUGCKDJIASUGIM-QGZVFWFLSA-N 1 2 331.460 2.684 50 0 EFAALO O=C(NCCCn1cccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000534637797 478164710 /nfs/dbraw/zinc/16/47/10/478164710.db2.gz MYUTYGFDSQAUHG-UHFFFAOYSA-N 1 2 344.434 2.545 50 0 EFAALO Cc1c[nH]c([C@H](C)NS(=O)(=O)c2cc(C)cc3cccnc32)[nH+]1 ZINC000534648622 478165626 /nfs/dbraw/zinc/16/56/26/478165626.db2.gz JOCKEOCHIFSSDJ-LBPRGKRZSA-N 1 2 330.413 2.614 50 0 EFAALO CC(C)n1cc[nH+]c1CNC(=O)N1CCN(c2ccccc2F)CC1 ZINC000534647969 478166021 /nfs/dbraw/zinc/16/60/21/478166021.db2.gz RTBAPCQWHOMIRR-UHFFFAOYSA-N 1 2 345.422 2.635 50 0 EFAALO Cc1ccnc(C[C@@H](C)N(C)C(=O)NCC2(Cn3cc[nH+]c3)CC2)c1 ZINC000534653381 478166446 /nfs/dbraw/zinc/16/64/46/478166446.db2.gz MAGWHBPKGQQZJG-MRXNPFEDSA-N 1 2 341.459 2.639 50 0 EFAALO CCCn1cc[nH+]c1CNC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000534656902 478167259 /nfs/dbraw/zinc/16/72/59/478167259.db2.gz XTORPAFVIKYNNT-UHFFFAOYSA-N 1 2 332.452 2.655 50 0 EFAALO Cc1cccc(N2CCC([NH2+]Cc3noc([C@H]4CCCO4)n3)CC2)c1 ZINC000534673855 478168775 /nfs/dbraw/zinc/16/87/75/478168775.db2.gz FCIWUJOYKXRUPE-QGZVFWFLSA-N 1 2 342.443 2.988 50 0 EFAALO Cc1c[nH]c(CN(C)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)[nH+]1 ZINC000584889895 479272724 /nfs/dbraw/zinc/27/27/24/479272724.db2.gz WWWGVGGWWWHLRS-AWEZNQCLSA-N 1 2 345.422 2.525 50 0 EFAALO Cc1csc(CCCNC(=O)N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000584903805 479276764 /nfs/dbraw/zinc/27/67/64/479276764.db2.gz NNKSEHBYBPIRJZ-UHFFFAOYSA-N 1 2 348.472 2.505 50 0 EFAALO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000585132837 479295431 /nfs/dbraw/zinc/29/54/31/479295431.db2.gz ZZCBRQXCIQRGGV-FQEVSTJZSA-N 1 2 336.435 2.741 50 0 EFAALO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000585132837 479295439 /nfs/dbraw/zinc/29/54/39/479295439.db2.gz ZZCBRQXCIQRGGV-FQEVSTJZSA-N 1 2 336.435 2.741 50 0 EFAALO COc1nsc(CNc2cc[nH+]c(C3CC3)n2)c1Br ZINC000585132740 479295808 /nfs/dbraw/zinc/29/58/08/479295808.db2.gz RIKFTCCFHGGTAL-UHFFFAOYSA-N 1 2 341.234 3.194 50 0 EFAALO CC(C)(C)OC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](CO)C2)cs1 ZINC000585136356 479296111 /nfs/dbraw/zinc/29/61/11/479296111.db2.gz BPDHUBKJWSFRJP-LLVKDONJSA-N 1 2 327.450 2.694 50 0 EFAALO CC(C)(C)OC(=O)Nc1nc(C[N@H+]2CCC[C@@H](CO)C2)cs1 ZINC000585136356 479296118 /nfs/dbraw/zinc/29/61/18/479296118.db2.gz BPDHUBKJWSFRJP-LLVKDONJSA-N 1 2 327.450 2.694 50 0 EFAALO CCNc1cc(CNC(=O)Nc2cc(F)c(OC)c(F)c2)cc[nH+]1 ZINC000585136102 479296404 /nfs/dbraw/zinc/29/64/04/479296404.db2.gz QENHVCKHYMDLIH-UHFFFAOYSA-N 1 2 336.342 3.122 50 0 EFAALO O=C(NCCc1ccccc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575613693 479454973 /nfs/dbraw/zinc/45/49/73/479454973.db2.gz SBQCZWNRRIAHTI-GOSISDBHSA-N 1 2 325.412 2.877 50 0 EFAALO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000055565703 537069606 /nfs/dbraw/zinc/06/96/06/537069606.db2.gz ZZFPEHFEYPMWOO-INIZCTEOSA-N 1 2 339.439 2.844 50 0 EFAALO C[C@H](NC(=O)C1(Cn2cc[nH+]c2)CC1)c1ccccc1-n1cccn1 ZINC000670452020 547492206 /nfs/dbraw/zinc/49/22/06/547492206.db2.gz IIKYAUNXJMDUMF-HNNXBMFYSA-N 1 2 335.411 2.726 50 0 EFAALO Cc1ccc(NCCCNC(=O)CCc2n[nH]c3c2CCCC3)[nH+]c1 ZINC000670466327 547494394 /nfs/dbraw/zinc/49/43/94/547494394.db2.gz PPOMVDOYUFDFPK-UHFFFAOYSA-N 1 2 341.459 2.543 50 0 EFAALO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cn(CC3CCC3)nn2)C1 ZINC000685943716 550197651 /nfs/dbraw/zinc/19/76/51/550197651.db2.gz MVCIUKHALCUOFJ-INIZCTEOSA-N 1 2 349.479 2.519 50 0 EFAALO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cn(CC3CCC3)nn2)C1 ZINC000685943716 550197653 /nfs/dbraw/zinc/19/76/53/550197653.db2.gz MVCIUKHALCUOFJ-INIZCTEOSA-N 1 2 349.479 2.519 50 0 EFAALO CCOc1ccc2nc(C[N@@H+]3C[C@@H]4CCCN4C(=O)[C@@H]3C)ccc2c1 ZINC001772707632 1249294082 /nfs/dbraw/zinc/29/40/82/1249294082.db2.gz WBWTYMZURTWXHL-YOEHRIQHSA-N 1 2 339.439 2.829 50 0 EFAALO CCOc1ccc2nc(C[N@H+]3C[C@@H]4CCCN4C(=O)[C@@H]3C)ccc2c1 ZINC001772707632 1249294095 /nfs/dbraw/zinc/29/40/95/1249294095.db2.gz WBWTYMZURTWXHL-YOEHRIQHSA-N 1 2 339.439 2.829 50 0 EFAALO COc1c(C)cc(C)cc1C[N@H+]1CC(=O)N[C@@H](Cc2ccccc2)C1 ZINC001772708548 1249296333 /nfs/dbraw/zinc/29/63/33/1249296333.db2.gz CAGHSZGAJMZSDK-IBGZPJMESA-N 1 2 338.451 2.855 50 0 EFAALO COc1c(C)cc(C)cc1C[N@@H+]1CC(=O)N[C@@H](Cc2ccccc2)C1 ZINC001772708548 1249296339 /nfs/dbraw/zinc/29/63/39/1249296339.db2.gz CAGHSZGAJMZSDK-IBGZPJMESA-N 1 2 338.451 2.855 50 0 EFAALO O=C(N[C@@H](C1=CCC[N@H+](Cc2ccccn2)C1)C(F)(F)F)C1CC1 ZINC000065370827 1270950219 /nfs/dbraw/zinc/95/02/19/1270950219.db2.gz YRVDNIQGIUQXON-HNNXBMFYSA-N 1 2 339.361 2.671 50 0 EFAALO O=C(N[C@@H](C1=CCC[N@@H+](Cc2ccccn2)C1)C(F)(F)F)C1CC1 ZINC000065370827 1270950227 /nfs/dbraw/zinc/95/02/27/1270950227.db2.gz YRVDNIQGIUQXON-HNNXBMFYSA-N 1 2 339.361 2.671 50 0 EFAALO Cc1ccc(-c2ccc(C(=O)N[C@@H](C)C[NH+]3CCOCC3)cc2)o1 ZINC000952966874 1284962974 /nfs/dbraw/zinc/96/29/74/1284962974.db2.gz XIMLBKWZLXETLT-AWEZNQCLSA-N 1 2 328.412 2.706 50 0 EFAALO Cc1cccc(C(=O)NC[C@H]2CCCN(c3cc[nH+]cc3F)C2)n1 ZINC000952982243 1284978434 /nfs/dbraw/zinc/97/84/34/1284978434.db2.gz YGKJZSIVQJEIAT-CQSZACIVSA-N 1 2 328.391 2.571 50 0 EFAALO C[N@H+](CC(=O)NCc1csc2c1CCCC2)Cc1cccnc1 ZINC000952990424 1284996838 /nfs/dbraw/zinc/99/68/38/1284996838.db2.gz UGSSBAMVRFTVAV-UHFFFAOYSA-N 1 2 329.469 2.770 50 0 EFAALO C[N@@H+](CC(=O)NCc1csc2c1CCCC2)Cc1cccnc1 ZINC000952990424 1284996844 /nfs/dbraw/zinc/99/68/44/1284996844.db2.gz UGSSBAMVRFTVAV-UHFFFAOYSA-N 1 2 329.469 2.770 50 0 EFAALO CN1CC[NH+](Cc2ccc(-c3ncnn3C3CCCCC3)o2)CC1 ZINC000091665623 1290327001 /nfs/dbraw/zinc/32/70/01/1290327001.db2.gz NAWWJEKFKYIPMA-UHFFFAOYSA-N 1 2 329.448 2.791 50 0 EFAALO Cc1cc(C[NH+]2CCC(Cn3cc(-c4ccccc4)nn3)CC2)n[nH]1 ZINC000019782055 1314539577 /nfs/dbraw/zinc/53/95/77/1314539577.db2.gz WMCCNEVBXPOCDF-UHFFFAOYSA-N 1 2 336.443 2.889 50 0 EFAALO CSCCc1n[nH]c2c1C[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000020149277 1314602105 /nfs/dbraw/zinc/60/21/05/1314602105.db2.gz PDTVBHRNHVSKPT-UHFFFAOYSA-N 1 2 345.468 2.645 50 0 EFAALO CSCCc1n[nH]c2c1C[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000020149277 1314602108 /nfs/dbraw/zinc/60/21/08/1314602108.db2.gz PDTVBHRNHVSKPT-UHFFFAOYSA-N 1 2 345.468 2.645 50 0 EFAALO 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/nfs/dbraw/zinc/03/78/66/216037866.db2.gz WMTBFKGQFQCFQN-UHFFFAOYSA-N 1 2 337.383 2.651 50 0 EFAALO CNC(=O)c1noc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C)C2)n1 ZINC000072166008 216055478 /nfs/dbraw/zinc/05/54/78/216055478.db2.gz DUYDANLGDSRAHJ-HNNXBMFYSA-N 1 2 342.443 2.582 50 0 EFAALO CNC(=O)c1noc(C[N@H+]2CCC[C@@H](CCc3ccccc3C)C2)n1 ZINC000072166008 216055482 /nfs/dbraw/zinc/05/54/82/216055482.db2.gz DUYDANLGDSRAHJ-HNNXBMFYSA-N 1 2 342.443 2.582 50 0 EFAALO CN(Cc1[nH+]ccn1C)c1cc(-c2ccccc2F)nc2ccnn21 ZINC000072169560 216060823 /nfs/dbraw/zinc/06/08/23/216060823.db2.gz GXNBYZALXUPBKN-UHFFFAOYSA-N 1 2 336.374 2.905 50 0 EFAALO CCOc1ccc(C(=O)CCC(=O)N2CCn3c[nH+]cc3C2)cc1C ZINC000072172769 216064094 /nfs/dbraw/zinc/06/40/94/216064094.db2.gz HAQCPDRSTHTDFC-UHFFFAOYSA-N 1 2 341.411 2.596 50 0 EFAALO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cnn2c1CCCC2 ZINC000072174521 216065033 /nfs/dbraw/zinc/06/50/33/216065033.db2.gz PNJMQWGLQFDLAN-KRWDZBQOSA-N 1 2 335.411 2.587 50 0 EFAALO Cc1ccc(C)c(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072270610 216093079 /nfs/dbraw/zinc/09/30/79/216093079.db2.gz RUTVUPCSRDWUGG-INIZCTEOSA-N 1 2 347.484 2.680 50 0 EFAALO Cc1ccc(C)c(S(=O)(=O)CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072270610 216093081 /nfs/dbraw/zinc/09/30/81/216093081.db2.gz RUTVUPCSRDWUGG-INIZCTEOSA-N 1 2 347.484 2.680 50 0 EFAALO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1nc2c(s1)CCCC2 ZINC000072270746 216093496 /nfs/dbraw/zinc/09/34/96/216093496.db2.gz MJBFAVMBWVFOEO-GFCCVEGCSA-N 1 2 345.472 2.563 50 0 EFAALO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1nc2c(s1)CCCC2 ZINC000072270746 216093499 /nfs/dbraw/zinc/09/34/99/216093499.db2.gz MJBFAVMBWVFOEO-GFCCVEGCSA-N 1 2 345.472 2.563 50 0 EFAALO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccnn1C1CCCC1 ZINC000072270641 216093554 /nfs/dbraw/zinc/09/35/54/216093554.db2.gz WZPVAOVDKYLMCK-AWEZNQCLSA-N 1 2 342.447 2.539 50 0 EFAALO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)Nc1ccnn1C1CCCC1 ZINC000072270641 216093556 /nfs/dbraw/zinc/09/35/56/216093556.db2.gz WZPVAOVDKYLMCK-AWEZNQCLSA-N 1 2 342.447 2.539 50 0 EFAALO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)CCCC(C)C)C2)no1 ZINC000072279287 216106162 /nfs/dbraw/zinc/10/61/62/216106162.db2.gz ZQRNLKWLUJRGQY-GOEBONIOSA-N 1 2 336.480 2.888 50 0 EFAALO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)C2)no1 ZINC000072279287 216106166 /nfs/dbraw/zinc/10/61/66/216106166.db2.gz ZQRNLKWLUJRGQY-GOEBONIOSA-N 1 2 336.480 2.888 50 0 EFAALO Cc1cccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)n1 ZINC000107100336 219744741 /nfs/dbraw/zinc/74/47/41/219744741.db2.gz YTKRBVFWGMHVIS-IBGZPJMESA-N 1 2 343.446 2.598 50 0 EFAALO Cc1cccc(C[N@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)n1 ZINC000107100336 219744745 /nfs/dbraw/zinc/74/47/45/219744745.db2.gz YTKRBVFWGMHVIS-IBGZPJMESA-N 1 2 343.446 2.598 50 0 EFAALO Cc1cccc(CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)n1 ZINC000107100336 219744749 /nfs/dbraw/zinc/74/47/49/219744749.db2.gz YTKRBVFWGMHVIS-IBGZPJMESA-N 1 2 343.446 2.598 50 0 EFAALO Cc1cccc(CN2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)n1 ZINC000107100336 219744752 /nfs/dbraw/zinc/74/47/52/219744752.db2.gz YTKRBVFWGMHVIS-IBGZPJMESA-N 1 2 343.446 2.598 50 0 EFAALO CCCCc1nc(Cl)c(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)[nH]1 ZINC000072431543 216224741 /nfs/dbraw/zinc/22/47/41/216224741.db2.gz AFPZABLLKCQICX-INIZCTEOSA-N 1 2 340.855 2.822 50 0 EFAALO CCCCc1nc(Cl)c(C[N@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)[nH]1 ZINC000072431543 216224746 /nfs/dbraw/zinc/22/47/46/216224746.db2.gz AFPZABLLKCQICX-INIZCTEOSA-N 1 2 340.855 2.822 50 0 EFAALO O=C1CC[C@]2(CCCN(c3cccc[nH+]3)C2)CN1Cc1cccnc1 ZINC000072436365 216231013 /nfs/dbraw/zinc/23/10/13/216231013.db2.gz FORZRXKWEACOMZ-FQEVSTJZSA-N 1 2 336.439 2.886 50 0 EFAALO COCc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000072441451 216234838 /nfs/dbraw/zinc/23/48/38/216234838.db2.gz QYVNJKIIUMDJOY-UHFFFAOYSA-N 1 2 340.423 2.918 50 0 EFAALO Cc1[nH+]ccn1C1(C(=O)[O-])CC[NH+](Cc2ccc(C)c(F)c2F)CC1 ZINC000072480760 216260462 /nfs/dbraw/zinc/26/04/62/216260462.db2.gz JBMJNILIHJURKY-UHFFFAOYSA-N 1 2 349.381 2.854 50 0 EFAALO O=C(c1ccc(Cl)cc1O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000072480802 216260740 /nfs/dbraw/zinc/26/07/40/216260740.db2.gz OIYYFYAIJFXEAS-UHFFFAOYSA-N 1 2 345.830 2.789 50 0 EFAALO O=C(c1ccc(Cl)cc1O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000072480802 216260744 /nfs/dbraw/zinc/26/07/44/216260744.db2.gz OIYYFYAIJFXEAS-UHFFFAOYSA-N 1 2 345.830 2.789 50 0 EFAALO C[C@@]1(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCCO1 ZINC000176047477 239299028 /nfs/dbraw/zinc/29/90/28/239299028.db2.gz FQXUKZUIKDUBDH-MRSBXDGLSA-N 1 2 343.471 2.596 50 0 EFAALO CC(C)c1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)n[nH]1 ZINC000023375572 212372768 /nfs/dbraw/zinc/37/27/68/212372768.db2.gz NQIXEPGLMGCICI-IBGZPJMESA-N 1 2 342.487 2.602 50 0 EFAALO CC(C)c1cc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)n[nH]1 ZINC000023375572 212372779 /nfs/dbraw/zinc/37/27/79/212372779.db2.gz NQIXEPGLMGCICI-IBGZPJMESA-N 1 2 342.487 2.602 50 0 EFAALO OC[C@@H]1CCC[N@@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000023251692 212364603 /nfs/dbraw/zinc/36/46/03/212364603.db2.gz AYUZBFORNAKNMI-ZDUSSCGKSA-N 1 2 341.333 2.636 50 0 EFAALO OC[C@@H]1CCC[N@H+]1Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000023251692 212364607 /nfs/dbraw/zinc/36/46/07/212364607.db2.gz AYUZBFORNAKNMI-ZDUSSCGKSA-N 1 2 341.333 2.636 50 0 EFAALO OCC[C@H]1CN(Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000023153324 212357496 /nfs/dbraw/zinc/35/74/96/212357496.db2.gz SUNRBEKTCCPVFA-IBGZPJMESA-N 1 2 344.430 2.600 50 0 EFAALO OCC[C@H]1CN(Cc2ccc(O)cc2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000023153324 212357499 /nfs/dbraw/zinc/35/74/99/212357499.db2.gz SUNRBEKTCCPVFA-IBGZPJMESA-N 1 2 344.430 2.600 50 0 EFAALO COc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000022920055 212334600 /nfs/dbraw/zinc/33/46/00/212334600.db2.gz OSLUDAADFJBICF-FQEVSTJZSA-N 1 2 340.467 2.764 50 0 EFAALO COc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000022920055 212334603 /nfs/dbraw/zinc/33/46/03/212334603.db2.gz OSLUDAADFJBICF-FQEVSTJZSA-N 1 2 340.467 2.764 50 0 EFAALO Cc1ncsc1CCN(C)C(=O)[C@H](c1ccccc1F)[NH+](C)C ZINC000215269552 241116920 /nfs/dbraw/zinc/11/69/20/241116920.db2.gz TVHVPORIPSVUPG-INIZCTEOSA-N 1 2 335.448 2.894 50 0 EFAALO COCCn1cc[nH+]c1CN(C)Cc1cnn(-c2ccccc2C)c1 ZINC000215755500 241143047 /nfs/dbraw/zinc/14/30/47/241143047.db2.gz GXHPEECNSGFKBP-UHFFFAOYSA-N 1 2 339.443 2.656 50 0 EFAALO CN(C)c1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cn1 ZINC000215791339 241145683 /nfs/dbraw/zinc/14/56/83/241145683.db2.gz ZWJMLLMNMMTXPV-RMKNXTFCSA-N 1 2 336.483 2.979 50 0 EFAALO CC[C@H](CO)[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccco1 ZINC000215851924 241151570 /nfs/dbraw/zinc/15/15/70/241151570.db2.gz STLALTSEBNYERJ-MRXNPFEDSA-N 1 2 326.400 2.633 50 0 EFAALO CC[C@H](CO)[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccco1 ZINC000215851924 241151577 /nfs/dbraw/zinc/15/15/77/241151577.db2.gz STLALTSEBNYERJ-MRXNPFEDSA-N 1 2 326.400 2.633 50 0 EFAALO COc1cc2c(cc1C[N@@H+]1Cc3ccccc3C[C@H]1C(N)=O)CCC2 ZINC000215992515 241156572 /nfs/dbraw/zinc/15/65/72/241156572.db2.gz VVRIGOCWYZVYMX-IBGZPJMESA-N 1 2 336.435 2.596 50 0 EFAALO COc1cc2c(cc1C[N@H+]1Cc3ccccc3C[C@H]1C(N)=O)CCC2 ZINC000215992515 241156579 /nfs/dbraw/zinc/15/65/79/241156579.db2.gz VVRIGOCWYZVYMX-IBGZPJMESA-N 1 2 336.435 2.596 50 0 EFAALO CCc1ccc(C[N@@H+]2CCn3nc(CNc4cnccn4)cc3C2)cc1 ZINC000299763226 241183478 /nfs/dbraw/zinc/18/34/78/241183478.db2.gz ZCBANTBLXTVGFT-UHFFFAOYSA-N 1 2 348.454 2.863 50 0 EFAALO CCc1ccc(C[N@H+]2CCn3nc(CNc4cnccn4)cc3C2)cc1 ZINC000299763226 241183484 /nfs/dbraw/zinc/18/34/84/241183484.db2.gz ZCBANTBLXTVGFT-UHFFFAOYSA-N 1 2 348.454 2.863 50 0 EFAALO O=C(CCCn1cc[nH+]c1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000215665123 241136356 /nfs/dbraw/zinc/13/63/56/241136356.db2.gz HKPLNUHWQTVSKW-UHFFFAOYSA-N 1 2 330.407 2.541 50 0 EFAALO O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000218890363 241350596 /nfs/dbraw/zinc/35/05/96/241350596.db2.gz PTZUGXXCNYJOKM-HNNXBMFYSA-N 1 2 337.427 2.631 50 0 EFAALO Cc1nc(NCc2ccc3c(c2)OCCCO3)cc(C2CC(O)C2)[nH+]1 ZINC000218962101 241355787 /nfs/dbraw/zinc/35/57/87/241355787.db2.gz ZYWXMIKQZDXMIX-UHFFFAOYSA-N 1 2 341.411 2.797 50 0 EFAALO Cc1c(CN(C)C(=O)C[N@H+](C)Cc2cccnc2)[nH]c2ccccc12 ZINC000219266973 241371413 /nfs/dbraw/zinc/37/14/13/241371413.db2.gz TVQAGYIQNSYMKW-UHFFFAOYSA-N 1 2 336.439 2.962 50 0 EFAALO Cc1c(CN(C)C(=O)C[N@@H+](C)Cc2cccnc2)[nH]c2ccccc12 ZINC000219266973 241371421 /nfs/dbraw/zinc/37/14/21/241371421.db2.gz TVQAGYIQNSYMKW-UHFFFAOYSA-N 1 2 336.439 2.962 50 0 EFAALO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2nc3cccc(C)c3[nH]2)C1 ZINC000219553517 241394645 /nfs/dbraw/zinc/39/46/45/241394645.db2.gz CRORQJXUXMHXIC-HNNXBMFYSA-N 1 2 337.427 2.782 50 0 EFAALO O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000244691776 243060938 /nfs/dbraw/zinc/06/09/38/243060938.db2.gz JJENKXTWQHCJPP-DEYYWGMASA-N 1 2 348.406 2.714 50 0 EFAALO CC(=O)c1c(C)nn([C@H](C)CC(=O)NCc2c[nH+]c(C)cc2C)c1C ZINC000244633185 243046694 /nfs/dbraw/zinc/04/66/94/243046694.db2.gz FYQPFHPBLWDBJM-CYBMUJFWSA-N 1 2 342.443 2.982 50 0 EFAALO O=C(CCCn1cc[nH+]c1)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 ZINC000244673588 243053429 /nfs/dbraw/zinc/05/34/29/243053429.db2.gz HSAZTLOLHAPMEQ-YEWDVWPNSA-N 1 2 349.381 2.570 50 0 EFAALO COc1c2c(cc3c1[C@@H](CC(=O)c1cccnc1)[N@H+](C)CC3)OCO2 ZINC000020758918 212170198 /nfs/dbraw/zinc/17/01/98/212170198.db2.gz BNFFMDQVYXJISJ-CQSZACIVSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO COc1c2c(cc3c1[C@@H](CC(=O)c1cccnc1)[N@@H+](C)CC3)OCO2 ZINC000020758918 212170202 /nfs/dbraw/zinc/17/02/02/212170202.db2.gz BNFFMDQVYXJISJ-CQSZACIVSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO O=C(CN1CC[NH+](Cc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000020767093 212169694 /nfs/dbraw/zinc/16/96/94/212169694.db2.gz DQWHQCKJKFWGRA-UHFFFAOYSA-N 1 2 345.393 2.721 50 0 EFAALO OCC[C@@H]1CN(Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1F ZINC000020599383 212150924 /nfs/dbraw/zinc/15/09/24/212150924.db2.gz HFHLJYCBJLBHSO-GOSISDBHSA-N 1 2 344.430 2.600 50 0 EFAALO OCC[C@@H]1CN(Cc2cccc(O)c2)CC[N@H+]1Cc1ccccc1F ZINC000020599383 212150925 /nfs/dbraw/zinc/15/09/25/212150925.db2.gz HFHLJYCBJLBHSO-GOSISDBHSA-N 1 2 344.430 2.600 50 0 EFAALO O=C(CN1CC[NH+](Cc2ccc(F)cc2)CC1)Nc1ccccc1F ZINC000020508038 212141724 /nfs/dbraw/zinc/14/17/24/212141724.db2.gz UUHIRGWWTIPOAA-UHFFFAOYSA-N 1 2 345.393 2.721 50 0 EFAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)NC1CCCCC1 ZINC000020508707 212141563 /nfs/dbraw/zinc/14/15/63/212141563.db2.gz SWCHVNNGLQKATH-JXMROGBWSA-N 1 2 341.499 2.766 50 0 EFAALO O=C(CN1CC[NH+](Cc2ccco2)CC1)Nc1ccc(Cl)cc1 ZINC000020479652 212136196 /nfs/dbraw/zinc/13/61/96/212136196.db2.gz AQBAAOBWSCEDEE-UHFFFAOYSA-N 1 2 333.819 2.689 50 0 EFAALO Cc1ccc(NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000020367716 212123682 /nfs/dbraw/zinc/12/36/82/212123682.db2.gz PDBBNPRGGBOSAK-UHFFFAOYSA-N 1 2 341.430 2.890 50 0 EFAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccncc1)[N@H+](C)CC3)OCO2 ZINC000020111693 212102678 /nfs/dbraw/zinc/10/26/78/212102678.db2.gz WKOBQLSFTVJAPF-CQSZACIVSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccncc1)[N@@H+](C)CC3)OCO2 ZINC000020111693 212102679 /nfs/dbraw/zinc/10/26/79/212102679.db2.gz WKOBQLSFTVJAPF-CQSZACIVSA-N 1 2 340.379 2.621 50 0 biogenic EFAALO CCn1c2ccccc2n(C[C@@H](O)COc2ccc(C)cc2)c1=[NH2+] ZINC000020065818 212099527 /nfs/dbraw/zinc/09/95/27/212099527.db2.gz MAHQDIHQZPRSIK-OAHLLOKOSA-N 1 2 325.412 2.690 50 0 EFAALO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCc2ccccc2C1 ZINC000020048291 212097942 /nfs/dbraw/zinc/09/79/42/212097942.db2.gz BLHHVWRSKJIVJZ-UHFFFAOYSA-N 1 2 336.435 2.717 50 0 EFAALO CSc1ccc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000019973412 212092761 /nfs/dbraw/zinc/09/27/61/212092761.db2.gz OKIYWMLNHNVFGG-UHFFFAOYSA-N 1 2 327.453 2.762 50 0 EFAALO CC[C@@H](C)[N@@H+]1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(OC)cc2)C1 ZINC000019938938 212087487 /nfs/dbraw/zinc/08/74/87/212087487.db2.gz WFBOZAFHPTVTQJ-LLVKDONJSA-N 1 2 346.456 2.887 50 0 EFAALO CC[C@@H](C)[N@H+]1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(OC)cc2)C1 ZINC000019938938 212087488 /nfs/dbraw/zinc/08/74/88/212087488.db2.gz WFBOZAFHPTVTQJ-LLVKDONJSA-N 1 2 346.456 2.887 50 0 EFAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000019889323 212079842 /nfs/dbraw/zinc/07/98/42/212079842.db2.gz OFJBVXIDCJJVII-UHFFFAOYSA-N 1 2 344.480 2.810 50 0 EFAALO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000019889290 212079801 /nfs/dbraw/zinc/07/98/01/212079801.db2.gz PEFHQVFUEDFQCD-UHFFFAOYSA-N 1 2 344.480 2.756 50 0 EFAALO Cc1cccc2c(C)cc3nnc(SCC[NH+]4CCOCC4)n3c12 ZINC000019820854 212072119 /nfs/dbraw/zinc/07/21/19/212072119.db2.gz IWCLCRUSNCOVST-UHFFFAOYSA-N 1 2 342.468 2.924 50 0 EFAALO CCc1ccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)o1 ZINC000019841692 212074472 /nfs/dbraw/zinc/07/44/72/212074472.db2.gz IUBRZHRSZSDCEK-SFHVURJKSA-N 1 2 343.471 2.614 50 0 EFAALO CCc1ccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)o1 ZINC000019841692 212074476 /nfs/dbraw/zinc/07/44/76/212074476.db2.gz IUBRZHRSZSDCEK-SFHVURJKSA-N 1 2 343.471 2.614 50 0 EFAALO CCc1ccc(CN2CC[N@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)o1 ZINC000019841692 212074477 /nfs/dbraw/zinc/07/44/77/212074477.db2.gz IUBRZHRSZSDCEK-SFHVURJKSA-N 1 2 343.471 2.614 50 0 EFAALO CCc1ccc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@@H](CCO)C2)o1 ZINC000019841692 212074480 /nfs/dbraw/zinc/07/44/80/212074480.db2.gz IUBRZHRSZSDCEK-SFHVURJKSA-N 1 2 343.471 2.614 50 0 EFAALO CS(=O)(=O)N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019841711 212074313 /nfs/dbraw/zinc/07/43/13/212074313.db2.gz QKBWLMPYBZOROX-UHFFFAOYSA-N 1 2 346.452 2.556 50 0 EFAALO Cc1oc(-c2ccco2)nc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000019790834 212067966 /nfs/dbraw/zinc/06/79/66/212067966.db2.gz KTGNKHHPFOIFMB-UHFFFAOYSA-N 1 2 338.411 2.956 50 0 EFAALO C[C@H]1CCc2c(sc3ncnc(NCC[NH+]4CCOCC4)c23)C1 ZINC000019792106 212067664 /nfs/dbraw/zinc/06/76/64/212067664.db2.gz FDLNQLMGCVOTAT-LBPRGKRZSA-N 1 2 332.473 2.560 50 0 EFAALO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000019773545 212064447 /nfs/dbraw/zinc/06/44/47/212064447.db2.gz MBFBDLQAKHCFKN-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO CCCn1c2ccccc2n(C[C@H](O)COc2ccccc2)c1=[NH2+] ZINC000019757594 212061939 /nfs/dbraw/zinc/06/19/39/212061939.db2.gz QTDOBONYIRTGJX-HNNXBMFYSA-N 1 2 325.412 2.772 50 0 EFAALO Cc1nc(C(=O)OCC[NH+]2CCOCC2)cc2c3ccccc3[nH]c21 ZINC000019593789 212050269 /nfs/dbraw/zinc/05/02/69/212050269.db2.gz ZGGQFNKXDGAMKQ-UHFFFAOYSA-N 1 2 339.395 2.514 50 0 EFAALO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCCc2occc21 ZINC000245519690 284199506 /nfs/dbraw/zinc/19/95/06/284199506.db2.gz SJMQZZJLLVTKPM-ZFWWWQNUSA-N 1 2 326.400 2.630 50 0 EFAALO COc1cccc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC000019564581 212044056 /nfs/dbraw/zinc/04/40/56/212044056.db2.gz LTHOMLDLQXMSTF-UHFFFAOYSA-N 1 2 328.387 2.792 50 0 EFAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000019564605 212043491 /nfs/dbraw/zinc/04/34/91/212043491.db2.gz ZQWPJLYTEDNECH-UHFFFAOYSA-N 1 2 340.423 2.662 50 0 EFAALO O=C(NC1CCCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019345773 212020270 /nfs/dbraw/zinc/02/02/70/212020270.db2.gz KTALZMGWXVZKGI-UHFFFAOYSA-N 1 2 345.443 2.575 50 0 EFAALO CC1(C)N2CC3(c4ccccc4)C[NH+]1CC(c1ccccc1)(C2)C3O ZINC000019319929 212015621 /nfs/dbraw/zinc/01/56/21/212015621.db2.gz AHQHHTGIDVUJMH-UHFFFAOYSA-N 1 2 334.463 2.604 50 0 EFAALO COC(=O)c1ccc(C[NH+]2CC(c3nc(-c4cccs4)no3)C2)o1 ZINC000049484687 214012553 /nfs/dbraw/zinc/01/25/53/214012553.db2.gz IGFQOKSDWFHFHE-UHFFFAOYSA-N 1 2 345.380 2.777 50 0 EFAALO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019237233 212007413 /nfs/dbraw/zinc/00/74/13/212007413.db2.gz GOSNRLDMTNFZKZ-UHFFFAOYSA-N 1 2 330.453 2.502 50 0 EFAALO Cn1ccc2ccc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)cc21 ZINC000079501165 217235397 /nfs/dbraw/zinc/23/53/97/217235397.db2.gz WAOPDOBGUUJZFX-UHFFFAOYSA-N 1 2 348.450 2.574 50 0 EFAALO O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344987 217299023 /nfs/dbraw/zinc/29/90/23/217299023.db2.gz HTRAKACYRBBFDW-HUUCEWRRSA-N 1 2 343.254 2.545 50 0 EFAALO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(C(F)(F)F)[nH]c1=O ZINC000067847692 284393149 /nfs/dbraw/zinc/39/31/49/284393149.db2.gz NGSZKMZHQXZJDM-UHFFFAOYSA-N 1 2 326.278 2.591 50 0 EFAALO Cc1nc(N(C)Cc2[nH]nc3c2CCCCC3)cc([C@H]2CCOC2)[nH+]1 ZINC000426383831 247272030 /nfs/dbraw/zinc/27/20/30/247272030.db2.gz LRIQNLSGYBMKJZ-AWEZNQCLSA-N 1 2 341.459 2.917 50 0 EFAALO Cc1cc(-c2cccc(C(=O)NCCCn3ccnn3)c2)cc(C)[nH+]1 ZINC000426430706 247280118 /nfs/dbraw/zinc/28/01/18/247280118.db2.gz KMXPQSPYECWBFP-UHFFFAOYSA-N 1 2 335.411 2.777 50 0 EFAALO C[C@@H](CNC(=O)c1cc(-n2cccn2)ccc1Cl)n1cc[nH+]c1 ZINC000426465313 247283811 /nfs/dbraw/zinc/28/38/11/247283811.db2.gz VKHSLZAUWMDALE-LBPRGKRZSA-N 1 2 329.791 2.713 50 0 EFAALO Cc1nc(N2CCC(Oc3cccnc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426489361 247286563 /nfs/dbraw/zinc/28/65/63/247286563.db2.gz KPRDVIRLNSNTBX-OAHLLOKOSA-N 1 2 340.427 2.732 50 0 EFAALO CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000012381334 211362102 /nfs/dbraw/zinc/36/21/02/211362102.db2.gz KWEKZQSMTQYTDG-UHFFFAOYSA-N 1 2 328.416 2.688 50 0 EFAALO Cc1nc(C[NH+]2CCC(n3nccc3NC(=O)CC(C)C)CC2)c[nH]1 ZINC000012305830 211340150 /nfs/dbraw/zinc/34/01/50/211340150.db2.gz PAPPSVJAZTWABJ-UHFFFAOYSA-N 1 2 344.463 2.736 50 0 EFAALO COC(=O)c1ccc(-c2noc(C[N@H+](C)C[C@H]3CCCCO3)n2)cc1 ZINC000012192729 211315493 /nfs/dbraw/zinc/31/54/93/211315493.db2.gz XHKMGWFLXFVFQG-OAHLLOKOSA-N 1 2 345.399 2.524 50 0 EFAALO COC(=O)c1ccc(-c2noc(C[N@@H+](C)C[C@H]3CCCCO3)n2)cc1 ZINC000012192729 211315497 /nfs/dbraw/zinc/31/54/97/211315497.db2.gz XHKMGWFLXFVFQG-OAHLLOKOSA-N 1 2 345.399 2.524 50 0 EFAALO Cc1ccc2[nH+]c(CCCn3cc(-c4nccn4C)nn3)[nH]c2c1C ZINC000091441373 218005760 /nfs/dbraw/zinc/00/57/60/218005760.db2.gz WFKAYMFCEWEQOD-UHFFFAOYSA-N 1 2 335.415 2.805 50 0 EFAALO Fc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)c(F)c1F ZINC000091444817 218007164 /nfs/dbraw/zinc/00/71/64/218007164.db2.gz QZBQXXMIHPUCHO-TZMCWYRMSA-N 1 2 348.372 2.995 50 0 EFAALO Fc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)c(F)c1F ZINC000091444817 218007166 /nfs/dbraw/zinc/00/71/66/218007166.db2.gz QZBQXXMIHPUCHO-TZMCWYRMSA-N 1 2 348.372 2.995 50 0 EFAALO Cn1cccc1C(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091460471 218009600 /nfs/dbraw/zinc/00/96/00/218009600.db2.gz JWDAWQBMEJCMCK-UHFFFAOYSA-N 1 2 349.438 2.685 50 0 EFAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000011819284 211252241 /nfs/dbraw/zinc/25/22/41/211252241.db2.gz MMJFJKVREXZYDR-LJQANCHMSA-N 1 2 349.434 2.737 50 0 EFAALO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000011874233 211262837 /nfs/dbraw/zinc/26/28/37/211262837.db2.gz XPALNDDHHUVCBM-AWEZNQCLSA-N 1 2 347.390 2.575 50 0 EFAALO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000011874233 211262844 /nfs/dbraw/zinc/26/28/44/211262844.db2.gz XPALNDDHHUVCBM-AWEZNQCLSA-N 1 2 347.390 2.575 50 0 EFAALO O=C(c1ccco1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091526189 218018168 /nfs/dbraw/zinc/01/81/68/218018168.db2.gz JDGGPQROHNNZPT-INIZCTEOSA-N 1 2 336.395 2.939 50 0 EFAALO COCc1cc(C[N@H+](C)Cc2cc(=O)c3cccc(Cl)c3[nH]2)[nH]n1 ZINC000091550932 218021576 /nfs/dbraw/zinc/02/15/76/218021576.db2.gz CZYDMRQSNYLMER-UHFFFAOYSA-N 1 2 346.818 2.683 50 0 EFAALO COCc1cc(C[N@@H+](C)Cc2cc(=O)c3cccc(Cl)c3[nH]2)[nH]n1 ZINC000091550932 218021577 /nfs/dbraw/zinc/02/15/77/218021577.db2.gz CZYDMRQSNYLMER-UHFFFAOYSA-N 1 2 346.818 2.683 50 0 EFAALO CC(C)NC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091594553 218027567 /nfs/dbraw/zinc/02/75/67/218027567.db2.gz AIRSPLRUQPTPFD-HNNXBMFYSA-N 1 2 327.432 2.624 50 0 EFAALO Cc1cc(C)n(C[C@@H](C)NC(=O)Cn2cc[nH+]c2-c2ccccc2)n1 ZINC000091593348 218027851 /nfs/dbraw/zinc/02/78/51/218027851.db2.gz FSXWUQVLAIJPAJ-OAHLLOKOSA-N 1 2 337.427 2.568 50 0 EFAALO COCC[C@@]1(CO)CCC[N@H+](Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000091626304 218035196 /nfs/dbraw/zinc/03/51/96/218035196.db2.gz UWIUQWSGKOVIMX-IBGZPJMESA-N 1 2 335.492 2.753 50 0 EFAALO COCC[C@@]1(CO)CCC[N@@H+](Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000091626304 218035197 /nfs/dbraw/zinc/03/51/97/218035197.db2.gz UWIUQWSGKOVIMX-IBGZPJMESA-N 1 2 335.492 2.753 50 0 EFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)[C@@H]1CCCCO1 ZINC000011753406 211243680 /nfs/dbraw/zinc/24/36/80/211243680.db2.gz LEKOXSJUEGWLTE-SFHVURJKSA-N 1 2 339.439 2.903 50 0 EFAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC[C@]2(CCOC2)C1 ZINC000091817749 218070549 /nfs/dbraw/zinc/07/05/49/218070549.db2.gz HTIUTKYSJYSVOI-IBGZPJMESA-N 1 2 325.412 2.579 50 0 EFAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC[C@@]2(CCOC2)C1 ZINC000091817751 218071128 /nfs/dbraw/zinc/07/11/28/218071128.db2.gz HTIUTKYSJYSVOI-LJQANCHMSA-N 1 2 325.412 2.579 50 0 EFAALO Cn1cc[nH+]c1C1CCN(C(=O)c2ccccc2-c2ncc[nH]2)CC1 ZINC000091746197 218058471 /nfs/dbraw/zinc/05/84/71/218058471.db2.gz FQQWLKWSKNVZCV-UHFFFAOYSA-N 1 2 335.411 2.830 50 0 EFAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000091747043 218058955 /nfs/dbraw/zinc/05/89/55/218058955.db2.gz NFVFFJLINSLVLJ-INIZCTEOSA-N 1 2 326.444 2.989 50 0 EFAALO Cc1cccc2nc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)c(F)n21 ZINC000091793755 218068002 /nfs/dbraw/zinc/06/80/02/218068002.db2.gz GGXQMBKVYAALFH-AWEZNQCLSA-N 1 2 341.390 2.531 50 0 EFAALO CCn1cc[nH+]c1C1CCN(C(=O)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000091848826 218077543 /nfs/dbraw/zinc/07/75/43/218077543.db2.gz VFBKEVPTGSGRMG-MRXNPFEDSA-N 1 2 347.846 2.996 50 0 EFAALO O=C(N1CCCC1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091987723 218099899 /nfs/dbraw/zinc/09/98/99/218099899.db2.gz HEDSTFLETCHOGX-UHFFFAOYSA-N 1 2 339.443 2.722 50 0 EFAALO O=C(c1cccnc1)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000092106850 218121389 /nfs/dbraw/zinc/12/13/89/218121389.db2.gz PZKLFTLTAGYBCN-GOSISDBHSA-N 1 2 347.422 2.741 50 0 EFAALO Cc1ccc([C@@H]2[NH+]=C(NCc3ccco3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009426319 211082577 /nfs/dbraw/zinc/08/25/77/211082577.db2.gz HPCJLEDTWLGSIA-QGZVFWFLSA-N 1 2 349.394 2.571 50 0 EFAALO C[NH+](C)[C@@H](C(=O)NCc1n[nH]c2c1CCCCC2)c1cccc(F)c1 ZINC000095374336 218307400 /nfs/dbraw/zinc/30/74/00/218307400.db2.gz QGHQVHXERJPRES-GOSISDBHSA-N 1 2 344.434 2.737 50 0 EFAALO C[NH+](C)[C@H](C(=O)NCc1n[nH]c2c1CCCCC2)c1cccc(F)c1 ZINC000095374335 218307430 /nfs/dbraw/zinc/30/74/30/218307430.db2.gz QGHQVHXERJPRES-SFHVURJKSA-N 1 2 344.434 2.737 50 0 EFAALO Cc1cccn2c(CC(=O)NC[C@@H]3CCOc4ccccc4C3)c[nH+]c12 ZINC000095370180 218302210 /nfs/dbraw/zinc/30/22/10/218302210.db2.gz BIMIKZPXYLGBKO-MRXNPFEDSA-N 1 2 349.434 2.943 50 0 EFAALO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(F)ccc1F)c1ccsc1 ZINC000008895991 211016162 /nfs/dbraw/zinc/01/61/62/211016162.db2.gz FXAPNLWHWUMNQX-ZDUSSCGKSA-N 1 2 346.424 2.608 50 0 EFAALO Cn1c(CNC(=O)[C@@H](c2ccccc2F)[NH+](C)C)nc2ccccc21 ZINC000095391175 218322696 /nfs/dbraw/zinc/32/26/96/218322696.db2.gz BFMFUFBTDJVUEN-GOSISDBHSA-N 1 2 340.402 2.632 50 0 EFAALO COCC1(C(=O)N[C@@H](CCn2cc[nH+]c2)c2ccccc2)CCC1 ZINC000097272472 219007771 /nfs/dbraw/zinc/00/77/71/219007771.db2.gz ZENVBRBVSNPJNF-KRWDZBQOSA-N 1 2 327.428 2.947 50 0 EFAALO Cc1n[nH]c(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1Cl ZINC000097499688 219030175 /nfs/dbraw/zinc/03/01/75/219030175.db2.gz ITFVBBFZQSLCRF-UHFFFAOYSA-N 1 2 346.862 2.900 50 0 EFAALO Cn1cc[nH+]c1CN(Cc1cnn(-c2ccccc2F)c1)C1CC1 ZINC000097604085 219040160 /nfs/dbraw/zinc/04/01/60/219040160.db2.gz CRKFNCOATHAUEF-UHFFFAOYSA-N 1 2 325.391 2.910 50 0 EFAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cn3cccc(C)c3n2)C1 ZINC000097575092 219036777 /nfs/dbraw/zinc/03/67/77/219036777.db2.gz RQOXZIZHUHMWQQ-OAHLLOKOSA-N 1 2 337.427 2.879 50 0 EFAALO Cc1cc2nc(C[N@@H+]3CC[C@H](c4cccc(Cl)c4)C3)cc(=O)n2[nH]1 ZINC000334159656 258016702 /nfs/dbraw/zinc/01/67/02/258016702.db2.gz PIECTMCJWGZLLJ-AWEZNQCLSA-N 1 2 342.830 2.974 50 0 EFAALO Cc1cc2nc(C[N@H+]3CC[C@H](c4cccc(Cl)c4)C3)cc(=O)n2[nH]1 ZINC000334159656 258016703 /nfs/dbraw/zinc/01/67/03/258016703.db2.gz PIECTMCJWGZLLJ-AWEZNQCLSA-N 1 2 342.830 2.974 50 0 EFAALO CC(C)[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1[nH+]ccn1C ZINC000299776933 258087151 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