smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)c1ccc(-c2nc3ccccc3c(Nc3cc[nH+]cc3)n2)cc1 ZINC000004258505 204129861 /nfs/dbraw/zinc/12/98/61/204129861.db2.gz KLZGRCRZGBAWII-UHFFFAOYSA-N 1 0 369.428 4.137 1 0 FIAFRO CCc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000004886305 204172970 /nfs/dbraw/zinc/17/29/70/204172970.db2.gz DYBDDRSSYVBRRI-AYHJJNSGSA-N 1 0 353.466 4.159 3 0 FIAFRO CC1=NC(=O)[C@@](CC[NH+](C(C)C)C(C)C)(c2ccccc2)[C@@H]2CCCCN12 ZINC000028755842 204888990 /nfs/dbraw/zinc/88/89/90/204888990.db2.gz QAHRRCMLXFLZTF-GMAHTHKFSA-N 1 0 369.553 4.246 1 0 in-man FIAFRO CCC[C@@H]1CC(=O)C[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040843935 205082813 /nfs/dbraw/zinc/08/28/13/205082813.db2.gz ILZGABAAVFSXBX-ULLYJBBUSA-N 1 0 353.506 4.066 1 0 FIAFRO [NH3+][C@@H]1CCN(Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)C1 ZINC000045201555 205117753 /nfs/dbraw/zinc/11/77/53/205117753.db2.gz OBQDHHPMRZQVTF-GOSISDBHSA-N 1 0 374.513 4.491 1 0 FIAFRO CO[C@H]1Cc2ccccc2[C@]2(CCC[N@H+](CCCc3ccccc3)C2)O1 ZINC000045289703 205119139 /nfs/dbraw/zinc/11/91/39/205119139.db2.gz ZQQMWLKKSVHRHG-DHIUTWEWSA-N 1 0 351.490 4.156 1 0 FIAFRO [NH3+][C@@H]1CCN(Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1 ZINC000045324011 205120572 /nfs/dbraw/zinc/12/05/72/205120572.db2.gz SNTTXYMROKUTGW-OAQYLSRUSA-N 1 0 368.484 4.430 1 0 FIAFRO COc1cccc(C[N@@H+]2CC[C@](C)(Oc3cccc(Cl)c3)C2)c1OC ZINC000061904532 205287718 /nfs/dbraw/zinc/28/77/18/205287718.db2.gz AMWICKZQVIOVFN-FQEVSTJZSA-N 1 0 361.869 4.401 3 0 FIAFRO CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000061906126 205290062 /nfs/dbraw/zinc/29/00/62/205290062.db2.gz QZFJAMOWNUNMME-LBPRGKRZSA-N 1 0 362.823 4.097 3 0 FIAFRO O=S(=O)(Nc1ccc2[nH]c3cc[nH+]cc3c2c1)c1ccc(Cl)cc1 ZINC000064560247 205300651 /nfs/dbraw/zinc/30/06/51/205300651.db2.gz AXCLOPRMONJQTF-UHFFFAOYSA-N 1 0 357.822 4.170 1 0 FIAFRO Clc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)c1 ZINC000066251024 205364156 /nfs/dbraw/zinc/36/41/56/205364156.db2.gz NJQJJWQZVOBHGI-UHFFFAOYSA-N 1 0 362.930 4.313 1 0 FIAFRO O=C([C@H]1CC12CCC(C1CCCCC1)CC2)N1CC[NH+](C2CCC2)CC1 ZINC000103243023 205990676 /nfs/dbraw/zinc/99/06/76/205990676.db2.gz BGVWWNSHROUKKN-YUVVGHDESA-N 1 0 358.570 4.460 1 0 FIAFRO CC(=O)CC[N@@H+]1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000169332183 206252068 /nfs/dbraw/zinc/25/20/68/206252068.db2.gz RSJLDQKWMAAKHL-NHCQJFKSSA-N 1 0 373.500 4.024 1 0 FIAFRO CC1(C)[C@H]2C[C@@H]1[C@@H](C[NH+]1CCC(N3c4ccccc4CC3=O)CC1)CC2 ZINC000169338769 206252607 /nfs/dbraw/zinc/25/26/07/206252607.db2.gz VBVYMUJWPFCVLU-QWFCFKBJSA-N 1 0 352.522 4.112 1 0 FIAFRO O=C(N[C@H]1CCC[C@@H]([NH2+]Cc2c[nH]c3ccccc23)C1)c1ccc(F)cc1 ZINC000169350908 206253869 /nfs/dbraw/zinc/25/38/69/206253869.db2.gz RJEOWQOMOYEZIE-MOPGFXCFSA-N 1 0 365.452 4.138 1 0 FIAFRO O=C1CC[NH+]([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc32)CC1 ZINC000049802342 221028258 /nfs/dbraw/zinc/02/82/58/221028258.db2.gz WDSLKTFRZQUHDJ-DHIUTWEWSA-N 1 0 351.490 4.375 1 0 FIAFRO COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[N@@H+]3CCC[C@H]3C2)cc1 ZINC000014696012 291082154 /nfs/dbraw/zinc/08/21/54/291082154.db2.gz ZICIMKCNGGNJIZ-SFHVURJKSA-N 1 0 365.473 4.491 1 0 biogenic,in-vitro FIAFRO C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]3(CCC[C@H]3C[NH2+]C3CCCC3)[C@@H]1[C@H](O)C2 ZINC000085547587 291082737 /nfs/dbraw/zinc/08/27/37/291082737.db2.gz MNVCSJUUUAOHID-UMTOVHEGSA-N 1 0 361.570 4.017 1 0 biogenic,in-vitro FIAFRO C[NH+](C)CCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl ZINC000001634416 204015009 /nfs/dbraw/zinc/01/50/09/204015009.db2.gz AXJJPQPZWHVERL-UHFFFAOYSA-N 1 0 352.265 4.028 1 0 FIAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000006010184 204233302 /nfs/dbraw/zinc/23/33/02/204233302.db2.gz KWSRPMWFUYDWFC-SJORKVTESA-N 1 0 355.309 4.059 1 0 FIAFRO COc1ccc(C[C@@H]2[NH2+]CCc3c4cc(C)c(C)cc4[nH]c32)cc1OC ZINC000013756927 204551426 /nfs/dbraw/zinc/55/14/26/204551426.db2.gz ODXWUVNDEWRVGP-IBGZPJMESA-N 1 0 350.462 4.231 1 0 FIAFRO c1ccc(CC2CC[NH+](CCSc3nc4cccnc4[nH]3)CC2)cc1 ZINC000027564218 204864792 /nfs/dbraw/zinc/86/47/92/204864792.db2.gz MFEPIPQYBXEVQH-UHFFFAOYSA-N 1 0 352.507 4.005 1 0 FIAFRO Cc1noc(CSC[C@@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000036271507 205008385 /nfs/dbraw/zinc/00/83/85/205008385.db2.gz ZDFZEYIOEFWTFE-GOEBONIOSA-N 1 0 351.903 4.000 1 0 FIAFRO O=C1NC[C@H](c2ccccc2)C12CC[NH+](C1(C3CC3)CCCCC1)CC2 ZINC000038357693 205039813 /nfs/dbraw/zinc/03/98/13/205039813.db2.gz DJMKLJQFMUSLBV-HXUWFJFHSA-N 1 0 352.522 4.095 1 0 FIAFRO CC(C)C1([NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccc(F)cc2)CCCCC1 ZINC000038147590 205038324 /nfs/dbraw/zinc/03/83/24/205038324.db2.gz WLNNXDHLQGPCSS-HXUWFJFHSA-N 1 0 372.528 4.480 1 0 FIAFRO [NH3+][C@@H]1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1 ZINC000045192895 205117638 /nfs/dbraw/zinc/11/76/38/205117638.db2.gz XPDMDGCOZLPEEH-QGZVFWFLSA-N 1 0 374.513 4.491 1 0 FIAFRO CCSc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC)[N@@H+]3CCCF)cc1 ZINC000045287940 205119112 /nfs/dbraw/zinc/11/91/12/205119112.db2.gz LHOOAMLZVNHXAN-YSHGAJCASA-N 1 0 365.514 4.268 1 0 FIAFRO CCCc1cc(OC)c(C[C@@H]2c3cccc(O)c3CC[N@H+]2C)cc1OC ZINC000045303247 205120053 /nfs/dbraw/zinc/12/00/53/205120053.db2.gz PVSGEYHXHISQCW-LJQANCHMSA-N 1 0 355.478 4.134 1 0 FIAFRO Fc1ccc(OC[C@H]2[C@@H]3C[NH2+]C[C@]23c2ccc(Cl)c(Cl)c2)cc1 ZINC000045358016 205121198 /nfs/dbraw/zinc/12/11/98/205121198.db2.gz SXVNDMHECZDJQS-RLFYNMQTSA-N 1 0 352.236 4.299 1 0 FIAFRO FC(F)(F)Oc1ccccc1O[C@H](c1cccnc1)C1CC[NH2+]CC1 ZINC000043076917 205101022 /nfs/dbraw/zinc/10/10/22/205101022.db2.gz PUMRLCALOZDUIE-KRWDZBQOSA-N 1 0 352.356 4.100 1 0 FIAFRO Cc1c2cc([C@H]([NH3+])c3cccc(O)c3)ccc2sc1-c1ccnc(N)n1 ZINC000049047843 205168639 /nfs/dbraw/zinc/16/86/39/205168639.db2.gz QCUUDSQQOCLPFV-GOSISDBHSA-N 1 0 362.458 4.003 1 0 FIAFRO [NH3+][C@@H](Cc1ccc(F)cc1)c1csc(Nc2nncc3ccccc32)n1 ZINC000061927471 205289973 /nfs/dbraw/zinc/28/99/73/205289973.db2.gz HLDPMZGZWYOLNN-INIZCTEOSA-N 1 0 365.437 4.212 3 0 FIAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000059276535 205279814 /nfs/dbraw/zinc/27/98/14/205279814.db2.gz FPNYXMREXNRRRR-MAUKXSAKSA-N 1 0 355.507 4.063 1 0 FIAFRO c1ccc([C@]2(CC[NH2+]Cc3cccnc3)CCOC3(CCCC3)C2)nc1 ZINC000096940346 205889753 /nfs/dbraw/zinc/88/97/53/205889753.db2.gz BMMVFQHOKOLWTG-OAQYLSRUSA-N 1 0 351.494 4.018 1 0 FIAFRO C[C@H](C[18F])OC(=O)[C@@H]1[C@@H]2CC[C@@H](C[N@@H+]2C)C[C@@H]1c1ccc(Cl)cc1 ZINC000169292582 206249682 /nfs/dbraw/zinc/24/96/82/206249682.db2.gz ZSLWUVZDXDAKIP-UTJKYURCSA-N 1 0 352.868 4.055 1 0 FIAFRO COc1cc(C[C@H]2C=C(c3ccccc3)CC[N@@H+]2C)cc(OC)c1OC ZINC000169320227 206251121 /nfs/dbraw/zinc/25/11/21/206251121.db2.gz VDEWLNRSEGMADL-IBGZPJMESA-N 1 0 353.462 4.043 1 0 FIAFRO COc1ccc(-c2cc([C@@H](O)C[C@H]3CCCC[NH2+]3)c3ccccc3n2)cc1 ZINC000169334760 206251386 /nfs/dbraw/zinc/25/13/86/206251386.db2.gz SECBAURNHRASLF-HXOBKFHXSA-N 1 0 362.473 4.476 1 0 FIAFRO c1c(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1-c1ccccn1 ZINC000103265604 132237313 /nfs/dbraw/zinc/23/73/13/132237313.db2.gz HSLSFIHZBAEOEB-UHFFFAOYSA-N 1 0 368.484 4.348 1 0 FIAFRO Fc1ccc2c(c1)C[C@H](CC[NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC000169350275 132261723 /nfs/dbraw/zinc/26/17/23/132261723.db2.gz XASUAOWUPBWGMW-MRXNPFEDSA-N 1 0 358.888 4.406 1 0 FIAFRO Cc1ccc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)c(C)c1 ZINC000072185312 136143821 /nfs/dbraw/zinc/14/38/21/136143821.db2.gz QDLCEBFVVVTXPR-UHFFFAOYSA-N 1 0 365.452 4.420 1 0 FIAFRO CCCC[N@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000001842194 204020487 /nfs/dbraw/zinc/02/04/87/204020487.db2.gz ADQMNVHAQOZPOZ-OKILXGFUSA-N 1 0 355.309 4.187 1 0 FIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2ncoc2c1 ZINC000003794816 204111026 /nfs/dbraw/zinc/11/10/26/204111026.db2.gz IKOTVCMEUMRLQO-KRWDZBQOSA-N 1 0 350.462 4.431 1 0 FIAFRO O=C(NC1CC[NH+](Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1 ZINC000004336620 204133960 /nfs/dbraw/zinc/13/39/60/204133960.db2.gz KMIVFOQFRIPVDV-UHFFFAOYSA-N 1 0 362.448 4.373 1 0 FIAFRO CC(C)=CCn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCc1ccc(F)c(F)c1 ZINC000013743310 204550608 /nfs/dbraw/zinc/55/06/08/204550608.db2.gz WCDPVWJJZDTROK-FQEVSTJZSA-N 1 0 372.459 4.302 1 0 FIAFRO O=C1CCC[C@@H]2C[C@@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C[C@@H]3CCN1[C@@H]32 ZINC000013813314 204554695 /nfs/dbraw/zinc/55/46/95/204554695.db2.gz XISLUXIQSYDWFI-NXEZDXNNSA-N 1 0 367.320 4.263 1 0 FIAFRO CCC[C@@H]1CNC(=O)C12CC[NH+](C1(c3ccccc3)CCCCC1)CC2 ZINC000014210502 204575064 /nfs/dbraw/zinc/57/50/64/204575064.db2.gz XNZWDRHJBZFXLY-HXUWFJFHSA-N 1 0 354.538 4.474 1 0 FIAFRO CC(C)(C)C1CCC([NH+]2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 ZINC000014977315 204596576 /nfs/dbraw/zinc/59/65/76/204596576.db2.gz YAVIYNBTNRCQNL-UHFFFAOYSA-N 1 0 372.528 4.394 1 0 FIAFRO Clc1cc(Cl)cc(COC[C@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022926748 204793033 /nfs/dbraw/zinc/79/30/33/204793033.db2.gz PYMMFZHBPNJQOD-LJQANCHMSA-N 1 0 365.304 4.157 1 0 FIAFRO CC(=O)O[C@@H]1c2ccccc2-c2ccc(OCC[NH+]3CCCCC3)cc21 ZINC000026579498 204853261 /nfs/dbraw/zinc/85/32/61/204853261.db2.gz VZHJNLMLCLYEGB-JOCHJYFZSA-N 1 0 351.446 4.184 1 0 FIAFRO COc1ccc(C[C@H]2[NH2+]C[C@@H](C)c3c4cccc(C)c4[nH]c32)cc1OC ZINC000026668131 204853925 /nfs/dbraw/zinc/85/39/25/204853925.db2.gz NIZFCRSGGQJYMN-RHSMWYFYSA-N 1 0 350.462 4.484 1 0 FIAFRO c1ncc(C2(c3cncs3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)s1 ZINC000026649954 204853936 /nfs/dbraw/zinc/85/39/36/204853936.db2.gz KZMYFKPKBGNIGS-FXAWDEMLSA-N 1 0 374.514 4.312 1 0 FIAFRO Cc1ccccc1C1CC[NH+](C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1 ZINC000038345001 205039585 /nfs/dbraw/zinc/03/95/85/205039585.db2.gz RWZHKEZRFILBTQ-GCJKJVERSA-N 1 0 350.506 4.256 1 0 FIAFRO Oc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)[NH2+]C2)cc1 ZINC000038322607 205039946 /nfs/dbraw/zinc/03/99/46/205039946.db2.gz GFVWNDVQQZGNER-ISKFKSNPSA-N 1 0 372.512 4.435 1 0 FIAFRO CCc1nn(-c2ccccc2)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000040862558 205082506 /nfs/dbraw/zinc/08/25/06/205082506.db2.gz XFTTZUDLLNOYGR-UHFFFAOYSA-N 1 0 373.500 4.456 1 0 FIAFRO C[N@H+](CCN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C ZINC000043010345 205098917 /nfs/dbraw/zinc/09/89/17/205098917.db2.gz RUFBZCWKTFORNM-UHFFFAOYSA-N 1 0 355.526 4.077 1 0 FIAFRO CCn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CC[NH2+]CC1 ZINC000040951803 205085574 /nfs/dbraw/zinc/08/55/74/205085574.db2.gz REISQSFVUDAFPJ-UHFFFAOYSA-N 1 0 374.847 4.485 1 0 FIAFRO C[NH+]1CCN(C2=Nc3ccccc3CC=C2c2ccc(Cl)cc2)CC1 ZINC000040503897 205071490 /nfs/dbraw/zinc/07/14/90/205071490.db2.gz OVGVSLFMWGZBJP-UHFFFAOYSA-N 1 0 351.881 4.257 1 0 FIAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(SC(F)(F)F)cc1)[N@@H+]2C ZINC000045283808 205118851 /nfs/dbraw/zinc/11/88/51/205118851.db2.gz UVNCBAMPWZRVGM-MYPMTAMASA-N 1 0 359.413 4.038 1 0 FIAFRO O=C(/C=C/c1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3c2)C1 ZINC000043076568 205100489 /nfs/dbraw/zinc/10/04/89/205100489.db2.gz DXMGONNADLQMGE-GULCCPCXSA-N 1 0 374.459 4.383 1 0 FIAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)C1 ZINC000043204921 205101016 /nfs/dbraw/zinc/10/10/16/205101016.db2.gz ZFXGNBOXQNGCFE-DYESRHJHSA-N 1 0 370.541 4.204 1 0 FIAFRO Cc1ccc(N2CCN(CC[N@@H+](C)CC34CCC(CC3)C4(C)C)C2=O)cc1 ZINC000043079594 205101675 /nfs/dbraw/zinc/10/16/75/205101675.db2.gz VLOIKNXQTLFVIH-UHFFFAOYSA-N 1 0 369.553 4.385 1 0 FIAFRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(-c2nc3c(cccc3C(N)=O)[nH]2)cc1 ZINC000049068032 205168794 /nfs/dbraw/zinc/16/87/94/205168794.db2.gz PQFMYQNBODJBRE-IBGZPJMESA-N 1 0 362.477 4.264 1 0 FIAFRO CO[C@@H]1CCC[N@@H+](C2CCN(c3cccc(-c4csc(C)n4)c3)CC2)C1 ZINC000063871752 205295769 /nfs/dbraw/zinc/29/57/69/205295769.db2.gz NECMMYGAQPLCBZ-HXUWFJFHSA-N 1 0 371.550 4.198 1 0 FIAFRO Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CC[N@H+]1CC[C@@H](O)c1ccco1 ZINC000058608588 205277083 /nfs/dbraw/zinc/27/70/83/205277083.db2.gz QKTRBTWYSXCKTF-GNXKAVGDSA-N 1 0 367.489 4.167 1 0 FIAFRO CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2cccc(C[NH3+])c2)n1 ZINC000058534764 205277251 /nfs/dbraw/zinc/27/72/51/205277251.db2.gz AIWBCPDAEZSRIW-UHFFFAOYSA-N 1 0 363.465 4.273 1 0 FIAFRO C[NH+](C)CC[S@@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000066075714 205362183 /nfs/dbraw/zinc/36/21/83/205362183.db2.gz FYIWAHGCHKFPFG-QFIPXVFZSA-N 1 0 356.318 4.393 1 0 FIAFRO Cc1nn(C)c2nc3ccccc3c(NCCC[NH2+]C3CCCCC3)c12 ZINC000169332565 206251970 /nfs/dbraw/zinc/25/19/70/206251970.db2.gz GDWYWZQYDXXGML-UHFFFAOYSA-N 1 0 351.498 4.154 1 0 FIAFRO CC(=O)Oc1ccc2c(c1)[C@@]1(C)CC[N@H+](CCc3ccccc3)[C@@H](C2)[C@@H]1C ZINC000169342264 206252041 /nfs/dbraw/zinc/25/20/41/206252041.db2.gz KXSOEMFNWSNSQG-DPSWKAHMSA-N 1 0 363.501 4.379 1 0 FIAFRO COc1ccc(N(C(=O)c2ccc(F)cc2)C2=C[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1 ZINC000013154736 206302060 /nfs/dbraw/zinc/30/20/60/206302060.db2.gz LHMXSGJHEUTTLE-RBUKOAKNSA-N 1 0 366.436 4.232 1 0 FIAFRO Fc1ccc2c(c1)C[C@@H](CC[NH+]1CCN(c3ccc(Cl)cc3)CC1)C2 ZINC000169350274 132261790 /nfs/dbraw/zinc/26/17/90/132261790.db2.gz XASUAOWUPBWGMW-INIZCTEOSA-N 1 0 358.888 4.406 1 0 FIAFRO O=C(CC[NH+]1CCCC1)NN1c2ccccc2Sc2cc(Cl)ccc21 ZINC000073222313 136149927 /nfs/dbraw/zinc/14/99/27/136149927.db2.gz KRKONNGCDXPUEO-UHFFFAOYSA-N 1 0 373.909 4.460 1 0 FIAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1C[NH+]1CCCCC1 ZINC000003795669 204110169 /nfs/dbraw/zinc/11/01/69/204110169.db2.gz PZKHOISBMZGAFR-MRXNPFEDSA-N 1 0 369.336 4.403 1 0 FIAFRO CCn1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc2sc(Cl)cc21 ZINC000005036510 204186936 /nfs/dbraw/zinc/18/69/36/204186936.db2.gz AHCOFPCFYLYNMK-ZDUSSCGKSA-N 1 0 367.946 4.370 1 0 FIAFRO CC(C)(C)C1CCC([NH+]2CCC(C(N)=O)(c3ccccc3F)CC2)CC1 ZINC000029134655 204895098 /nfs/dbraw/zinc/89/50/98/204895098.db2.gz FVLUEICGTGFFBL-UHFFFAOYSA-N 1 0 360.517 4.250 1 0 FIAFRO CNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000036221684 205008299 /nfs/dbraw/zinc/00/82/99/205008299.db2.gz NHTWPKUCTUYFEM-XKCSPQBFSA-N 1 0 368.521 4.263 1 0 in-vivo FIAFRO COCc1cc2c(s1)C[N@H+](C)C[C@@H]2c1ccc(Br)cc1 ZINC000038157543 205038396 /nfs/dbraw/zinc/03/83/96/205038396.db2.gz IIWILZXBPWXHAP-OAHLLOKOSA-N 1 0 352.297 4.234 1 0 FIAFRO COc1cc2cc(C)[n+](-c3ccc4scnc4c3)c(C)c2c(OC)c1 ZINC000040409157 205070659 /nfs/dbraw/zinc/07/06/59/205070659.db2.gz GBUYJDJZEVDZBJ-UHFFFAOYSA-N 1 0 351.451 4.360 1 0 FIAFRO CC(C)NC(=[NH2+])c1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 ZINC000040898445 205083709 /nfs/dbraw/zinc/08/37/09/205083709.db2.gz ZJJFUTMIWDPYDV-UHFFFAOYSA-N 1 0 356.426 4.011 1 0 FIAFRO COc1ccc2c3c1O[C@@H]1CC[C@H](C)[C@@H]4[C@@H](C2)[N@@H+](CC2CCC2)CC[C@]314 ZINC000040690092 205077387 /nfs/dbraw/zinc/07/73/87/205077387.db2.gz WBROHQFHMPKJBH-KFHOKMDASA-N 1 0 353.506 4.171 1 0 FIAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)C1 ZINC000043204902 205100860 /nfs/dbraw/zinc/10/08/60/205100860.db2.gz WRBZABSLXIGYJG-DYESRHJHSA-N 1 0 355.526 4.268 1 0 FIAFRO C[N@H+](CCN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)C2(C)C ZINC000043078108 205101323 /nfs/dbraw/zinc/10/13/23/205101323.db2.gz MLUVBFQPCVSGBZ-UHFFFAOYSA-N 1 0 373.516 4.216 1 0 FIAFRO CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CC[N@H+](C)[C@H](C)C1 ZINC000053059666 205190377 /nfs/dbraw/zinc/19/03/77/205190377.db2.gz IMZYOZMMPLONHQ-GFCCVEGCSA-N 1 0 358.486 4.221 1 0 FIAFRO CCCCc1nc2c(c3ccccc3nc2N)n1Cc1cccc(C[NH3+])c1 ZINC000064528094 205298555 /nfs/dbraw/zinc/29/85/55/205298555.db2.gz AKLBWCHTGHQPMA-UHFFFAOYSA-N 1 0 359.477 4.016 1 0 in-vitro FIAFRO COc1ccc(-n2nc(SC)c3ccc(C4=CC[NH2+]CC4)cc32)cc1 ZINC000072140873 205478508 /nfs/dbraw/zinc/47/85/08/205478508.db2.gz QUVKTRFGMBUQQH-UHFFFAOYSA-N 1 0 351.475 4.133 1 0 FIAFRO CC(=O)Oc1cccc([C@@]23CC[C@@H](C2)[N@H+](CCc2cccs2)CC3)c1 ZINC000169314270 206250777 /nfs/dbraw/zinc/25/07/77/206250777.db2.gz FRKCPFGXUYXIMQ-GHTZIAJQSA-N 1 0 355.503 4.412 1 0 FIAFRO C[N@@H+]1CCC[C@](NC(=O)c2ccc(C(F)(F)F)cc2)(c2ccccc2)C1 ZINC000169335861 206252462 /nfs/dbraw/zinc/25/24/62/206252462.db2.gz GHYQVCVNUSSGJV-LJQANCHMSA-N 1 0 362.395 4.056 1 0 FIAFRO Nc1[nH+]c2ccc(Cl)cc2n1C[C@H](O)c1cccc(Cl)c1Cl ZINC000169351100 206252948 /nfs/dbraw/zinc/25/29/48/206252948.db2.gz WADBSUZEKGZBKU-ZDUSSCGKSA-N 1 0 356.640 4.312 1 0 FIAFRO Fc1cccc(F)c1[C@H]1CC[C@H]([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000100085753 132232405 /nfs/dbraw/zinc/23/24/05/132232405.db2.gz UETLUCBWJPUFQM-CALCHBBNSA-N 1 0 357.448 4.208 1 0 FIAFRO Oc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc5ccccc54)CC3)c2c1 ZINC000169339882 132261783 /nfs/dbraw/zinc/26/17/83/132261783.db2.gz LGZBUKYZDPMWQV-UHFFFAOYSA-N 1 0 371.484 4.391 1 0 FIAFRO Nc1c2ccccc2nc2c1[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000003802302 132385752 /nfs/dbraw/zinc/38/57/52/132385752.db2.gz FDSMRKVPFKEAPH-NRFANRHFSA-N 1 0 358.489 4.017 1 0 FIAFRO CC(C)N1C[C@H](C[NH2+]CCc2c[nH]c3ccc(F)cc23)Oc2ccccc21 ZINC000028571214 132918553 /nfs/dbraw/zinc/91/85/53/132918553.db2.gz QPMKLHVPIXWKHL-SFHVURJKSA-N 1 0 367.468 4.115 1 0 FIAFRO C[N@@H+]1CCC[C@@H]1CCN1CCCc2cc(NC(=N)c3cccs3)ccc21 ZINC000073168505 136149961 /nfs/dbraw/zinc/14/99/61/136149961.db2.gz KEMKYEAYSRVURD-GOSISDBHSA-N 1 0 368.550 4.422 1 0 FIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000003794806 204110388 /nfs/dbraw/zinc/11/03/88/204110388.db2.gz NEXAKWOSJPQGTH-IBGZPJMESA-N 1 0 351.490 4.225 1 0 FIAFRO CC[NH+](CC)C[C@@H]1CCCN1C(=O)c1cc2ccc(C(F)(F)F)cc2o1 ZINC000003817069 204111870 /nfs/dbraw/zinc/11/18/70/204111870.db2.gz NWPNTJIYWKJLNG-HNNXBMFYSA-N 1 0 368.399 4.398 1 0 FIAFRO COC(=O)N1CCC[C@@]2(CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000003955923 204117398 /nfs/dbraw/zinc/11/73/98/204117398.db2.gz KKPYYEIHMSFECK-QHCPKHFHSA-N 1 0 364.489 4.330 1 0 FIAFRO CCCC[N@H+](CC)CCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 ZINC000004908774 204174783 /nfs/dbraw/zinc/17/47/83/204174783.db2.gz NSUTZYWPPSGRMD-UHFFFAOYSA-N 1 0 373.884 4.486 3 0 FIAFRO C[NH+]1CCC([C@@](O)(c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000006437979 204248531 /nfs/dbraw/zinc/24/85/31/204248531.db2.gz LQVHOPLMWCXWKV-LJQANCHMSA-N 1 0 360.295 4.027 1 0 FIAFRO CCC[NH+](CCC)[C@H]1CCn2c(ccc2C(=O)C(Cl)(Cl)Cl)C1 ZINC000013642154 204541453 /nfs/dbraw/zinc/54/14/53/204541453.db2.gz DXJBLNLSLUGVEL-LBPRGKRZSA-N 1 0 365.732 4.478 1 0 FIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2c(c1)CCN2 ZINC000013761428 204551582 /nfs/dbraw/zinc/55/15/82/204551582.db2.gz GCBWWAZZKWFUJJ-IBGZPJMESA-N 1 0 350.506 4.258 1 0 FIAFRO COc1ccc(C[C@H]2[NH2+]C[C@H](C)c3c4cccc(C)c4[nH]c32)cc1OC ZINC000026668138 204854710 /nfs/dbraw/zinc/85/47/10/204854710.db2.gz NIZFCRSGGQJYMN-WMLDXEAASA-N 1 0 350.462 4.484 1 0 FIAFRO c1cc(C2(c3ccoc3)C[C@@H]3c4ccc5c(c4[C@H]2c2cccc[n+]23)OC5)co1 ZINC000027179672 204859312 /nfs/dbraw/zinc/85/93/12/204859312.db2.gz XTXWJAYXBFETRL-IFMALSPDSA-N 1 0 368.412 4.477 1 0 FIAFRO Oc1ccc2cccc(CCCN3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000028711328 204886588 /nfs/dbraw/zinc/88/65/88/204886588.db2.gz GZSUKAWVLVTDGA-UHFFFAOYSA-N 1 0 352.522 4.428 1 0 FIAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2Br)C1 ZINC000036238007 205008687 /nfs/dbraw/zinc/00/86/87/205008687.db2.gz YFZYRKUTAITPML-CQSZACIVSA-N 1 0 366.686 4.428 1 0 FIAFRO Cn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1CC[NH2+]CC1 ZINC000040421867 205070773 /nfs/dbraw/zinc/07/07/73/205070773.db2.gz GIPQOUBHCGMGFM-UHFFFAOYSA-N 1 0 360.820 4.002 1 0 FIAFRO C[NH+]1CCN(C2=Nc3ccccc3CC=C2c2cccc(Cl)c2)CC1 ZINC000040503885 205071969 /nfs/dbraw/zinc/07/19/69/205071969.db2.gz NNWTXRVFFYQQLI-UHFFFAOYSA-N 1 0 351.881 4.257 1 0 FIAFRO CN(C)c1cc[nH+]c2ccc(NC(=O)Nc3ccnc4ccccc43)cc21 ZINC000045202768 205117853 /nfs/dbraw/zinc/11/78/53/205117853.db2.gz LQVPWVYJSKMJRM-UHFFFAOYSA-N 1 0 357.417 4.493 1 0 FIAFRO c1nn(-c2ccccc2)c2c1C1(CC[NH+](CC3CCCCC3)CC1)OCC2 ZINC000053242595 205191351 /nfs/dbraw/zinc/19/13/51/205191351.db2.gz NWMXSPBPJJFCHG-UHFFFAOYSA-N 1 0 365.521 4.316 1 0 FIAFRO COc1ccc(C[NH2+]C2CCC3(CC2)O[C@H](OC)Cc2ccccc23)cc1 ZINC000071340959 205428769 /nfs/dbraw/zinc/42/87/69/205428769.db2.gz DNIJYSZGAWKCFH-UTCTYZAISA-N 1 0 367.489 4.168 1 0 FIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)Nc1cccc(F)n1 ZINC000073195667 205567578 /nfs/dbraw/zinc/56/75/78/205567578.db2.gz SKIKZARVXIZUJL-MKSNKDDYSA-N 1 0 373.859 4.079 1 0 FIAFRO O[C@@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000143298970 206138250 /nfs/dbraw/zinc/13/82/50/206138250.db2.gz BBMXHMMGPRLFBR-DQEYMECFSA-N 1 0 372.512 4.279 1 0 FIAFRO Cc1ccc2c(c1)[C@H]1C[N@@H+](CCCC(=O)c3ccc(F)cc3)CC[C@H]1N2C ZINC000169331681 206252432 /nfs/dbraw/zinc/25/24/32/206252432.db2.gz ITSNRBHKRKVFFB-IFMALSPDSA-N 1 0 366.480 4.405 1 0 FIAFRO Cc1cc(C)c2nc(C(F)(F)F)cc([C@@H](O)C[C@@H]3CCCC[NH2+]3)c2c1 ZINC000169334032 206252658 /nfs/dbraw/zinc/25/26/58/206252658.db2.gz KXGCWJQQFJMQKK-BBRMVZONSA-N 1 0 352.400 4.436 1 0 FIAFRO O=C1O[C@@H](c2ccccc2Cl)CN1c1cccc(OC2CC[NH2+]CC2)c1 ZINC000169347322 206253440 /nfs/dbraw/zinc/25/34/40/206253440.db2.gz FKMROTXMCRSJED-LJQANCHMSA-N 1 0 372.852 4.169 1 0 FIAFRO Fc1cccc(F)c1[C@H]1CC[C@@H]([NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000100085750 132231930 /nfs/dbraw/zinc/23/19/30/132231930.db2.gz UETLUCBWJPUFQM-QAQDUYKDSA-N 1 0 357.448 4.208 1 0 FIAFRO C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)CCC[C@@H]21 ZINC000006487642 204249132 /nfs/dbraw/zinc/24/91/32/204249132.db2.gz UEVURCQRNLWTCZ-RJZVVRIISA-N 1 0 363.457 4.314 1 0 FIAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](COc1ccc3c(c1)OCO3)[C@H](c1ccc(F)cc1)C2 ZINC000013776983 204553100 /nfs/dbraw/zinc/55/31/00/204553100.db2.gz CUWDCKZGAWYXEX-GTAWCEEGSA-N 1 0 369.436 4.200 1 0 FIAFRO COc1ccc(C[C@H]2[NH2+]CCc3c2[nH]c2ccc(C)c(F)c23)cc1OC ZINC000026666002 204854218 /nfs/dbraw/zinc/85/42/18/204854218.db2.gz SYXYMGRUYXGGPS-MRXNPFEDSA-N 1 0 354.425 4.062 1 0 FIAFRO COc1cccc([C@H](O)C2CC[NH+](CCc3ccc(C)cc3)CC2)c1OC ZINC000040949675 205084788 /nfs/dbraw/zinc/08/47/88/205084788.db2.gz PTMIUFFWTDLVGW-JOCHJYFZSA-N 1 0 369.505 4.000 1 0 FIAFRO C[NH2+]C[C@@H](O)[C@H](c1cccc(F)c1)N1CC2(CCCCC2)c2ccccc21 ZINC000045374510 205121837 /nfs/dbraw/zinc/12/18/37/205121837.db2.gz VSVCFDIMOHRRET-YADHBBJMSA-N 1 0 368.496 4.169 1 0 FIAFRO FC(F)(F)c1ccc(SC[C@@H](c2c[nH]cn2)C2CC[NH2+]CC2)cc1 ZINC000064564985 205300841 /nfs/dbraw/zinc/30/08/41/205300841.db2.gz HGLGWLWXYRAXPK-OAHLLOKOSA-N 1 0 355.429 4.304 1 0 FIAFRO CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CC[NH2+]CC1)N2 ZINC000095590489 205792444 /nfs/dbraw/zinc/79/24/44/205792444.db2.gz JNVFCSOHOCKUSZ-BWAGFHJFSA-N 1 0 358.526 4.373 1 0 FIAFRO O=c1cc(-c2cccc3[nH]ccc32)c2ccccc2n1C[C@H]1CCC[NH2+]C1 ZINC000101668859 205964745 /nfs/dbraw/zinc/96/47/45/205964745.db2.gz RPCSWDCGTNITFL-INIZCTEOSA-N 1 0 357.457 4.149 1 0 FIAFRO CCC(=O)OC1CC[NH+](CC2=Cc3c(Cl)ccc(OC)c3CC2)CC1 ZINC000169324717 206250598 /nfs/dbraw/zinc/25/05/98/206250598.db2.gz BKVHBKBZINENCQ-UHFFFAOYSA-N 1 0 363.885 4.096 1 0 FIAFRO NC(=[NH2+])Nc1ccc(-c2cc(C(=O)Nc3cccc4ccccc43)no2)cc1 ZINC000169332294 206252247 /nfs/dbraw/zinc/25/22/47/206252247.db2.gz QBZXOLHHOWAYBV-UHFFFAOYSA-N 1 0 371.400 4.052 1 0 FIAFRO c1ccc(C[NH+]2CCC(CCNc3ccc(-c4cccnc4)nn3)CC2)cc1 ZINC000013863646 581091130 /nfs/dbraw/zinc/09/11/30/581091130.db2.gz SWDPRZJHKKUJIL-UHFFFAOYSA-N 1 0 373.504 4.253 1 0 FIAFRO C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 ZINC000049785071 221027849 /nfs/dbraw/zinc/02/78/49/221027849.db2.gz ARRNZUHFFUCBML-DZGCQCFKSA-N 1 0 360.860 4.122 1 0 FIAFRO COc1ccc(-c2ccc(C(=O)[C@H]3C[NH+]=C4C=C(C)C=CN4C3)cc2)cc1 ZINC000049808482 221028118 /nfs/dbraw/zinc/02/81/18/221028118.db2.gz NEAQPXGHTCRNQY-FQEVSTJZSA-N 1 0 358.441 4.349 1 0 FIAFRO COC(=O)C[C@H]1c2ccccc2[NH+]=C(N2CCCCC2)N1c1ccccc1 ZINC000100881419 132233526 /nfs/dbraw/zinc/23/35/26/132233526.db2.gz KJQOEXRCADXDKA-FQEVSTJZSA-N 1 0 363.461 4.284 1 0 FIAFRO c1c(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1-c1cccnc1 ZINC000103265613 132237277 /nfs/dbraw/zinc/23/72/77/132237277.db2.gz GTEIGVCCQWDXOK-UHFFFAOYSA-N 1 0 368.484 4.348 1 0 FIAFRO CC[NH+](CC)CC(=O)N1C[C@H](c2ccccc2)Oc2c(C)c(C)cc(C)c21 ZINC000040899093 136120506 /nfs/dbraw/zinc/12/05/06/136120506.db2.gz MUHGROROZPTGFA-HXUWFJFHSA-N 1 0 366.505 4.420 1 0 FIAFRO C[NH+]1CCN(c2ncnc3ccc(-c4ccccc4C(F)(F)F)cc32)CC1 ZINC000064581865 136133252 /nfs/dbraw/zinc/13/32/52/136133252.db2.gz ICYBZDGFVODRMW-UHFFFAOYSA-N 1 0 372.394 4.067 1 0 FIAFRO COc1ccccc1[C@]1([NH+]2CCN(c3ccccc3)CC2)[C@@H]2C[C@@H](C)C[C@@H]21 ZINC000101511246 537111156 /nfs/dbraw/zinc/11/11/56/537111156.db2.gz KETIGQXUUQTJJR-QVAYLADUSA-N 1 0 362.517 4.389 1 0 FIAFRO Fc1ccc(-c2ncn(CCC[NH+]3CCCC3)c2-c2ccncc2)cc1 ZINC000001540868 204011959 /nfs/dbraw/zinc/01/19/59/204011959.db2.gz XYBYJNUTYQCHIH-UHFFFAOYSA-N 1 0 350.441 4.237 1 0 FIAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc2c(c1)ncn2C1CCCC1 ZINC000002933267 204069175 /nfs/dbraw/zinc/06/91/75/204069175.db2.gz ZKBWYYXXBZNTDS-IAGOWNOFSA-N 1 0 368.525 4.144 1 0 FIAFRO Cc1coc2c1cc1c3c(c(=O)oc1c2OCCC[NH+](C)C)CCCC3 ZINC000003817193 204112173 /nfs/dbraw/zinc/11/21/73/204112173.db2.gz YJVRNKRMLZRJJA-UHFFFAOYSA-N 1 0 355.434 4.057 1 0 FIAFRO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1 ZINC000003904212 204114357 /nfs/dbraw/zinc/11/43/57/204114357.db2.gz OCSQLIYKMCOZCT-LJQANCHMSA-N 1 0 357.885 4.248 1 0 FIAFRO [NH3+]C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000026005422 204845680 /nfs/dbraw/zinc/84/56/80/204845680.db2.gz WAYHLMCBGBNUES-HSZRJFAPSA-N 1 0 367.452 4.332 1 0 FIAFRO CC(C)[NH2+][C@@H](C)[C@H](O)COc1ccccc1-c1nc2ccccc2s1 ZINC000028766539 204888048 /nfs/dbraw/zinc/88/80/48/204888048.db2.gz XLWHOSCPYSMBHS-WMLDXEAASA-N 1 0 356.491 4.090 1 0 FIAFRO C[C@H](O)C[N@@H+]1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160970 205006949 /nfs/dbraw/zinc/00/69/49/205006949.db2.gz DGAHSQWDPUWZAR-BTYIYWSLSA-N 1 0 365.452 4.401 1 0 FIAFRO C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@@H]2CN(c3ccccn3)C[C@@H]2C1 ZINC000036289105 205008623 /nfs/dbraw/zinc/00/86/23/205008623.db2.gz QFURDKZFPGIQLC-JTHBVZDNSA-N 1 0 359.517 4.260 1 0 FIAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc(Br)c2)C1 ZINC000036238010 205009281 /nfs/dbraw/zinc/00/92/81/205009281.db2.gz AJFLQDIECOEENG-OAHLLOKOSA-N 1 0 366.686 4.428 1 0 FIAFRO c1oc(-c2ccccc2)nc1CN1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000039552364 205046314 /nfs/dbraw/zinc/04/63/14/205046314.db2.gz OVYAJPZXAFAJRL-QFIPXVFZSA-N 1 0 351.494 4.040 1 0 FIAFRO O=S(=O)(c1c[nH]c2cccc(CC[NH2+]C3CCCC3)c21)c1ccccc1 ZINC000039829618 205047611 /nfs/dbraw/zinc/04/76/11/205047611.db2.gz HTHJJCBRKUSTFT-UHFFFAOYSA-N 1 0 368.502 4.075 1 0 in-vitro FIAFRO CCC(CC)n1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OC)C[N@H+](C)[C@@H]1C2 ZINC000040374312 205066374 /nfs/dbraw/zinc/06/63/74/205066374.db2.gz BOMVRTMBCWESTQ-QKYXUNIQSA-N 1 0 354.494 4.135 1 0 FIAFRO O=C1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C(N1)[C@H](c1ccccc1)C2 ZINC000040753126 205079660 /nfs/dbraw/zinc/07/96/60/205079660.db2.gz JQAFGLIAXMGYMK-CQNRZJDLSA-N 1 0 360.501 4.071 1 0 FIAFRO CCC[C@@H]1CC(=O)C[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040843550 205083467 /nfs/dbraw/zinc/08/34/67/205083467.db2.gz ASRGIKPNODZIHT-RKNIQEAPSA-N 1 0 367.533 4.456 1 0 FIAFRO C[NH2+]C[C@@H]1OCc2ccccc2[C@@H]1Oc1c(F)cccc1C(F)(F)F ZINC000040974888 205085931 /nfs/dbraw/zinc/08/59/31/205085931.db2.gz ULFUJAQEYUFVSH-HOTGVXAUSA-N 1 0 355.331 4.083 1 0 FIAFRO CCCC[C@@H](O)C1=CC[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 ZINC000040511746 205072317 /nfs/dbraw/zinc/07/23/17/205072317.db2.gz DJYWGBMTZMYDEB-ODAXIHTASA-N 1 0 355.522 4.081 1 0 FIAFRO [NH3+][C@@H]1CCN(Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)C1 ZINC000045186917 205117653 /nfs/dbraw/zinc/11/76/53/205117653.db2.gz CWZASJHTLJTWJB-QGZVFWFLSA-N 1 0 374.513 4.491 1 0 FIAFRO Oc1cc2c(cc1Cl)CC[NH2+][C@H]2Cc1ccccc1Br ZINC000045260640 205119256 /nfs/dbraw/zinc/11/92/56/205119256.db2.gz JHOVTRNHFCBNAQ-HNNXBMFYSA-N 1 0 352.659 4.238 1 0 FIAFRO O=C1c2cc3c(cc2[N+](=O)C1c1ccc(Oc2ccccc2)cc1)OCO3 ZINC000045245889 205119550 /nfs/dbraw/zinc/11/95/50/205119550.db2.gz JNMYTAOKGYVCRG-UHFFFAOYSA-N 1 0 359.337 4.035 1 0 FIAFRO CN(C)c1cccc2c1nc(-c1ccco1)n2CC[NH2+]Cc1ccccc1 ZINC000045324200 205120028 /nfs/dbraw/zinc/12/00/28/205120028.db2.gz BMBZZVIUGVYASA-UHFFFAOYSA-N 1 0 360.461 4.152 1 0 FIAFRO [NH3+][C@H]1CCN(Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1 ZINC000045324008 205120386 /nfs/dbraw/zinc/12/03/86/205120386.db2.gz SNTTXYMROKUTGW-NRFANRHFSA-N 1 0 368.484 4.430 1 0 FIAFRO CC[NH+]1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000049111939 205170815 /nfs/dbraw/zinc/17/08/15/205170815.db2.gz ARTZDEVJPRRYHR-UHFFFAOYSA-N 1 0 373.447 4.165 1 0 FIAFRO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3CC=C2c2ccccc2)CC1 ZINC000049650399 205174334 /nfs/dbraw/zinc/17/43/34/205174334.db2.gz ZNPPFZADRXSODA-UHFFFAOYSA-N 1 0 351.881 4.257 1 0 FIAFRO COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1[N@@H+]2C ZINC000061921183 205289208 /nfs/dbraw/zinc/28/92/08/205289208.db2.gz RLLBOELLJDZAIN-GHTZIAJQSA-N 1 0 363.457 4.059 3 0 FIAFRO CC(C)(C)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 ZINC000100852695 205949669 /nfs/dbraw/zinc/94/96/69/205949669.db2.gz OYFATNWHESZHAW-WGSAOQKQSA-N 1 0 369.553 4.020 1 0 FIAFRO COc1cc(C[C@@H]2C=C(c3ccccc3)CC[N@@H+]2C)cc(OC)c1OC ZINC000169320223 206249918 /nfs/dbraw/zinc/24/99/18/206249918.db2.gz VDEWLNRSEGMADL-LJQANCHMSA-N 1 0 353.462 4.043 1 0 FIAFRO Fc1ccc2c(c1)c1c(n2CCCOc2cc(F)ccc2F)CC[NH2+]C1 ZINC000169350518 206253044 /nfs/dbraw/zinc/25/30/44/206253044.db2.gz JJNOXBBLOQFPCH-UHFFFAOYSA-N 1 0 360.379 4.173 1 0 FIAFRO Fc1ccc2c(c1)c1c(n2CCCOc2cccc(F)c2F)CC[NH2+]C1 ZINC000169350527 206253386 /nfs/dbraw/zinc/25/33/86/206253386.db2.gz OVRPGEMYKPGVBY-UHFFFAOYSA-N 1 0 360.379 4.173 1 0 FIAFRO O=C1N(CC[NH+]2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1 ZINC000049785912 221027628 /nfs/dbraw/zinc/02/76/28/221027628.db2.gz BVVYFGNETCYNNY-UHFFFAOYSA-N 1 0 356.297 4.111 1 0 FIAFRO CC(C)(C)c1cnc(CSc2cnc(NCC3CC[NH2+]CC3)s2)o1 ZINC000040973079 581091831 /nfs/dbraw/zinc/09/18/31/581091831.db2.gz SELYMTMAYFSILA-UHFFFAOYSA-N 1 0 366.556 4.132 1 0 FIAFRO C[NH2+][C@H](c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc21 ZINC000000589926 219305483 /nfs/dbraw/zinc/30/54/83/219305483.db2.gz GNRSVTHQXVXCIC-OAQYLSRUSA-N 1 0 362.473 4.149 1 0 FIAFRO CC(C)n1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)OC3CCC3)C[N@H+](C)[C@H]1C2 ZINC000027518933 204863380 /nfs/dbraw/zinc/86/33/80/204863380.db2.gz BQSCTKYJXPGTLS-PBEJRMEISA-N 1 0 366.505 4.278 1 0 FIAFRO CN(C(=O)Cc1cccc2ccsc21)[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000029392281 204899497 /nfs/dbraw/zinc/89/94/97/204899497.db2.gz ZXJBAOCILPWUMV-RTBURBONSA-N 1 0 356.535 4.309 1 0 FIAFRO O=C(c1cc2ccc(C(F)(F)F)cc2o1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000036188012 205007874 /nfs/dbraw/zinc/00/78/74/205007874.db2.gz FEWXSMUQIMFEBX-HNNXBMFYSA-N 1 0 366.383 4.152 1 0 FIAFRO O=C1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 ZINC000040766757 205081035 /nfs/dbraw/zinc/08/10/35/205081035.db2.gz JANYVRGTCTXBAJ-FFMTYJSISA-N 1 0 374.528 4.461 1 0 FIAFRO CO[C@@H]1Cc2sccc2C2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000040957647 205086181 /nfs/dbraw/zinc/08/61/81/205086181.db2.gz IFOJZDCZRVEFLM-FQEVSTJZSA-N 1 0 357.519 4.217 1 0 FIAFRO CC[C@@H]1[C@@H](C)C(=O)C[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040651154 205076145 /nfs/dbraw/zinc/07/61/45/205076145.db2.gz QFHHXPQTADJUKH-MQWGLAERSA-N 1 0 367.533 4.312 1 0 FIAFRO Cn1cnc2c1nc(-c1ccc3ccccc3c1)nc2Nc1cc[nH+]cc1 ZINC000045194461 205117201 /nfs/dbraw/zinc/11/72/01/205117201.db2.gz QHHLQFITTIKWRK-UHFFFAOYSA-N 1 0 352.401 4.322 1 0 FIAFRO C[NH2+]CCNCc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000045195503 205118102 /nfs/dbraw/zinc/11/81/02/205118102.db2.gz OTCOPJXCSLBASY-UHFFFAOYSA-N 1 0 356.473 4.206 1 0 FIAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)C1 ZINC000043204922 205101027 /nfs/dbraw/zinc/10/10/27/205101027.db2.gz ZFXGNBOXQNGCFE-LAUBAEHRSA-N 1 0 370.541 4.204 1 0 FIAFRO Cn1cc(NC(=O)CCCCCCCCCCC[NH3+])c(-c2ccccn2)n1 ZINC000049052991 205169201 /nfs/dbraw/zinc/16/92/01/205169201.db2.gz JMEQPFASHHJIDA-UHFFFAOYSA-N 1 0 371.529 4.280 1 0 FIAFRO COc1ccc(NC(=O)Nc2nc([C@H]([NH3+])C3CCCCC3)cs2)cc1 ZINC000061902242 205287944 /nfs/dbraw/zinc/28/79/44/205287944.db2.gz RTOADZFGZVEFHB-MRXNPFEDSA-N 1 0 360.483 4.376 3 0 FIAFRO CCCNC(=O)[C@]1(C)CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000061895676 205288529 /nfs/dbraw/zinc/28/85/29/205288529.db2.gz JJBXTURMBLPEOL-MRXNPFEDSA-N 1 0 362.823 4.097 3 0 FIAFRO [NH3+][C@H](c1csc(Nc2ccc(C(F)(F)F)cn2)n1)c1ccccc1 ZINC000061927806 205289865 /nfs/dbraw/zinc/28/98/65/205289865.db2.gz KIHLIQOMTIAFCL-AWEZNQCLSA-N 1 0 350.369 4.349 3 0 FIAFRO O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2CCC[N@@H+]2[C@@H]2COc3ccccc3[C@H]12 ZINC000064573595 205300297 /nfs/dbraw/zinc/30/02/97/205300297.db2.gz IUEXTMRTZMMISL-JYBIWHBTSA-N 1 0 353.849 4.162 1 0 FIAFRO CO[C@H]1Cc2ccccc2[C@@]2(CC[N@H+](CCCCc3ccccc3)C2)O1 ZINC000084730023 205659601 /nfs/dbraw/zinc/65/96/01/205659601.db2.gz GCZKQSXITDZRGB-PKTZIBPZSA-N 1 0 351.490 4.156 1 0 FIAFRO O=C(NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1)Nc1cccs1 ZINC000095575592 205790820 /nfs/dbraw/zinc/79/08/20/205790820.db2.gz HFXBOTYGDZHGMS-UHFFFAOYSA-N 1 0 358.294 4.356 1 0 FIAFRO O=C(NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1)Nc1ccccc1F ZINC000095576758 205790984 /nfs/dbraw/zinc/79/09/84/205790984.db2.gz BEWDETUHGMEKLL-UHFFFAOYSA-N 1 0 370.255 4.434 1 0 FIAFRO [NH3+]CCCc1nc(-c2c[nH]c3ccccc23)cn2cc(-c3ccccc3)nc12 ZINC000095607610 205793940 /nfs/dbraw/zinc/79/39/40/205793940.db2.gz AAYVGUAQQMAZPE-UHFFFAOYSA-N 1 0 367.456 4.436 1 0 FIAFRO CC(C)CC[N@@H+]1C[C@H]2CC[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000169314230 206250560 /nfs/dbraw/zinc/25/05/60/206250560.db2.gz LUMJFYQEUQLNSP-FSPWUOQZSA-N 1 0 369.336 4.480 1 0 FIAFRO Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1N1CC[NH2+]CC1 ZINC000040936881 136120454 /nfs/dbraw/zinc/12/04/54/136120454.db2.gz OYFNTXGCTNHUIR-UHFFFAOYSA-N 1 0 351.277 4.290 1 0 FIAFRO C[N@@H+]1CCC[C@H]1CCN1CCCc2cc(NC(=N)c3cccs3)ccc21 ZINC000073168502 536390453 /nfs/dbraw/zinc/39/04/53/536390453.db2.gz KEMKYEAYSRVURD-SFHVURJKSA-N 1 0 368.550 4.422 1 0 FIAFRO c1cc(C2=NC3(CO2)CCCCC3)ccc1OCCC[NH+]1CCCCC1 ZINC000118001829 209349119 /nfs/dbraw/zinc/34/91/19/209349119.db2.gz KFBRHFYLJBVFGK-UHFFFAOYSA-N 1 0 356.510 4.421 1 0 FIAFRO Cc1ccc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)s1 ZINC000101366409 209224735 /nfs/dbraw/zinc/22/47/35/209224735.db2.gz YFSPDWGKSWOSRI-VYCZESIESA-N 1 0 370.518 4.291 1 0 FIAFRO O[C@@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1[nH]nc2ccccc21 ZINC000101185169 209221456 /nfs/dbraw/zinc/22/14/56/209221456.db2.gz IHAPBZBYXJKWJA-LFUKPOHLSA-N 1 0 367.880 4.231 1 0 FIAFRO COc1ccc([C@@H]2CC(=O)N[C@H]3CCCC[C@@H]3[N@@H+]2Cc2ccccc2)cc1 ZINC000096929580 209162902 /nfs/dbraw/zinc/16/29/02/209162902.db2.gz CQLOYQHVHMMETF-FKBYEOEOSA-N 1 0 364.489 4.070 1 0 FIAFRO CC[NH+](CC)CCNc1nc2cc(-c3ccccc3)nn2c2ccccc21 ZINC000096933157 209162623 /nfs/dbraw/zinc/16/26/23/209162623.db2.gz HFOUKZIPYWHDRD-UHFFFAOYSA-N 1 0 359.477 4.303 1 0 FIAFRO O=c1cc(C(F)(F)F)n(CCCC[NH+]2CCCCC2)c2ccc(F)cc12 ZINC000096909960 209160851 /nfs/dbraw/zinc/16/08/51/209160851.db2.gz ZBCNUOHYWNVSRW-UHFFFAOYSA-N 1 0 370.390 4.426 1 0 FIAFRO COc1ccc(NC(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000013684830 220085480 /nfs/dbraw/zinc/08/54/80/220085480.db2.gz NYPNVOJFYPOGKC-GOSISDBHSA-N 1 0 361.873 4.163 1 0 FIAFRO CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000006018038 207126054 /nfs/dbraw/zinc/12/60/54/207126054.db2.gz NINALMVLNXJRJC-MSOLQXFVSA-N 1 0 369.336 4.401 1 0 FIAFRO C[C@@]1(C[NH+]2CCCC2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013449311 207460781 /nfs/dbraw/zinc/46/07/81/207460781.db2.gz HQWIOXIOBQOQJB-IBGZPJMESA-N 1 0 369.336 4.403 1 0 FIAFRO C[C@@H]1CC[C@H](C)[N@H+]1CCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000013755517 207483025 /nfs/dbraw/zinc/48/30/25/207483025.db2.gz QTFOYIFTXHRBDC-KDURUIRLSA-N 1 0 350.506 4.198 1 0 FIAFRO COc1ccc(C[C@@H]2[NH2+]CCc3c4cc(C)cc(C)c4[nH]c32)cc1OC ZINC000026670481 207920199 /nfs/dbraw/zinc/92/01/99/207920199.db2.gz DBWVPJVRORRVEB-SFHVURJKSA-N 1 0 350.462 4.231 1 0 FIAFRO COc1ccc(C[C@H]2[NH2+]CCc3c4cc(SC)ccc4[nH]c32)cc1OC ZINC000026670292 207920773 /nfs/dbraw/zinc/92/07/73/207920773.db2.gz NUTKQVLYNINLFX-GOSISDBHSA-N 1 0 368.502 4.337 1 0 FIAFRO C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160974 208150476 /nfs/dbraw/zinc/15/04/76/208150476.db2.gz DGAHSQWDPUWZAR-QVKFZJNVSA-N 1 0 365.452 4.401 1 0 FIAFRO COc1ccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1 ZINC000040891876 208273767 /nfs/dbraw/zinc/27/37/67/208273767.db2.gz JBHYWQAXVZKPSC-AAIMPIBUSA-N 1 0 356.554 4.464 1 0 FIAFRO CC[C@@H]1CC(=O)C[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 ZINC000040373789 208248537 /nfs/dbraw/zinc/24/85/37/208248537.db2.gz UMODTPQPINIWKV-HKDUHGGJSA-N 1 0 353.506 4.066 1 0 FIAFRO C[N@@H+]1CCC=C([C@@H]2SCC(=O)N2c2ccc(Nc3ccccc3)cc2)C1 ZINC000045299919 208330331 /nfs/dbraw/zinc/33/03/31/208330331.db2.gz MPQZILZHYZIGDB-NRFANRHFSA-N 1 0 365.502 4.098 1 0 FIAFRO Clc1cccc(Cl)c1-c1cc(-c2cnn(C3CC[NH2+]CC3)c2)on1 ZINC000045506606 208335386 /nfs/dbraw/zinc/33/53/86/208335386.db2.gz CCDQOOKQQKTMOZ-UHFFFAOYSA-N 1 0 363.248 4.436 1 0 FIAFRO Cc1nonc1CN[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000045245744 208327969 /nfs/dbraw/zinc/32/79/69/208327969.db2.gz MALQOZUEYJBQGA-GOSISDBHSA-N 1 0 365.481 4.028 1 0 FIAFRO [NH3+][C@H]1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1 ZINC000045192892 208328043 /nfs/dbraw/zinc/32/80/43/208328043.db2.gz XPDMDGCOZLPEEH-KRWDZBQOSA-N 1 0 374.513 4.491 1 0 FIAFRO CC(C)(C)CC[NH2+]Cc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1 ZINC000066058768 136136786 /nfs/dbraw/zinc/13/67/86/136136786.db2.gz RDLWAHGUMRAINK-UHFFFAOYSA-N 1 0 365.521 4.396 1 0 FIAFRO Cc1c2cc([C@@H]([NH3+])c3cccc(O)c3)ccc2sc1-c1ccnc(N)n1 ZINC000049047847 581092292 /nfs/dbraw/zinc/09/22/92/581092292.db2.gz QCUUDSQQOCLPFV-SFHVURJKSA-N 1 0 362.458 4.003 1 0 FIAFRO O=c1[nH]c(CCC[N@@H+]2CCC3=C(CCc4ccccc43)C2)nc2ccccc21 ZINC000013581569 581100811 /nfs/dbraw/zinc/10/08/11/581100811.db2.gz MFXHCVPIWFZEGY-UHFFFAOYSA-N 1 0 371.484 4.374 1 0 FIAFRO O=c1[nH]nc(CCCC[N@H+]2CC=C(c3ccccc3)CC2)c2ccccc21 ZINC000009692000 581101175 /nfs/dbraw/zinc/10/11/75/581101175.db2.gz LIUHMYXLEFZHEQ-UHFFFAOYSA-N 1 0 359.473 4.447 1 0 FIAFRO COc1ccc(N(C(=O)/C=C/c2ccccc2)C2=C[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1 ZINC000002490090 209395358 /nfs/dbraw/zinc/39/53/58/209395358.db2.gz XMEGHXYPMWYZPW-AIGRFHFRSA-N 1 0 374.484 4.492 1 0 FIAFRO O[C@H](c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000143299162 209380285 /nfs/dbraw/zinc/38/02/85/209380285.db2.gz BBMXHMMGPRLFBR-JWQCQUIFSA-N 1 0 372.512 4.279 1 0 FIAFRO COc1ccc(-c2cc3nc4ccc(Br)cc4n3cn2)cc1 ZINC000103266966 209250843 /nfs/dbraw/zinc/25/08/43/209250843.db2.gz LXFDDRLDJDMVTP-UHFFFAOYSA-N 1 0 354.207 4.321 1 0 FIAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C[NH+](C)C)ccc21 ZINC000103245970 209249239 /nfs/dbraw/zinc/24/92/39/209249239.db2.gz LCSGAWOOXVASDT-QFIPXVFZSA-N 1 0 356.485 4.003 1 0 FIAFRO Cc1cc(NC(=O)c2cccs2)ccc1N1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000096922462 209161228 /nfs/dbraw/zinc/16/12/28/209161228.db2.gz QDYLERBISXXLCK-WMZOPIPTSA-N 1 0 369.534 4.372 1 0 FIAFRO COc1ccc([C@@]2(c3cccc(-c4cccnc4)c3)NC(=[NH2+])CS2)cc1 ZINC000096906034 209160237 /nfs/dbraw/zinc/16/02/37/209160237.db2.gz JFLAZALMCCYJTK-OAQYLSRUSA-N 1 0 361.470 4.062 1 0 FIAFRO CCCCc1ccc2[nH]c(C)c(C[N@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008717226 207243423 /nfs/dbraw/zinc/24/34/23/207243423.db2.gz WNLPAFILETVHBK-UHFFFAOYSA-N 1 0 355.526 4.117 1 0 FIAFRO O=C(Nc1ccnn1C1CC[NH+](C2CCCCC2)CC1)c1cccc(F)c1 ZINC000011997336 207332121 /nfs/dbraw/zinc/33/21/21/207332121.db2.gz OOQISIHQGQYXAO-UHFFFAOYSA-N 1 0 370.472 4.244 3 0 FIAFRO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@H]2Cc3sccc3C(=O)C2)CC1 ZINC000012356172 207366085 /nfs/dbraw/zinc/36/60/85/207366085.db2.gz KOJOODSKKCAJQB-CQSZACIVSA-N 1 0 371.477 4.227 1 0 FIAFRO COc1ccc([C@@H](CC[NH+]2CCCC2)c2c(O)cc(OC)cc2OC)cc1 ZINC000013661640 207474295 /nfs/dbraw/zinc/47/42/95/207474295.db2.gz BDSUONJLFCYUFN-LJQANCHMSA-N 1 0 371.477 4.036 3 0 FIAFRO CC[NH+](CC)CCCN1CCc2c3ccccc3[nH]c2[C@@H]1c1cccnc1 ZINC000031829930 208016802 /nfs/dbraw/zinc/01/68/02/208016802.db2.gz IGEVBTTXDGYSKM-QHCPKHFHSA-N 1 0 362.521 4.242 1 0 FIAFRO C[C@H]1C[N@@H+]2C[C@H](c3ccccc3)N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075257 208118486 /nfs/dbraw/zinc/11/84/86/208118486.db2.gz KFASSAPEPBYWOW-RMVZNSSTSA-N 1 0 350.506 4.047 1 0 FIAFRO C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160978 208147922 /nfs/dbraw/zinc/14/79/22/208147922.db2.gz DGAHSQWDPUWZAR-VFNWGFHPSA-N 1 0 365.452 4.401 1 0 FIAFRO CC[NH+](CC)[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O ZINC000040430872 208254778 /nfs/dbraw/zinc/25/47/78/208254778.db2.gz GEBDPJLANGRGDG-NQBGTIOHSA-N 1 0 363.586 4.071 1 0 FIAFRO COc1cc(NC(=O)c2ccccc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040764318 208269365 /nfs/dbraw/zinc/26/93/65/208269365.db2.gz NCMCTPACMAPOPN-UHFFFAOYSA-N 1 0 370.493 4.445 1 0 FIAFRO COc1ccc(Cl)c(C[C@@H]2c3cc(O)c(Cl)cc3CCN2C)c1 ZINC000045228785 208328368 /nfs/dbraw/zinc/32/83/68/208328368.db2.gz CIZJWUMBIRRKGW-QGZVFWFLSA-N 1 0 352.261 4.479 1 0 FIAFRO c1cc2cc(C[N@@H+]3CCc4nc(N5CCCCC5)sc4C3)ccc2[nH]1 ZINC000045303162 208330259 /nfs/dbraw/zinc/33/02/59/208330259.db2.gz JXINXMCJDIBMHE-UHFFFAOYSA-N 1 0 352.507 4.173 1 0 FIAFRO COc1cc2ccc(C)nc2c(NC[C@](C)(O)[NH+](CC(C)C)CC(C)C)c1 ZINC000045394411 208334302 /nfs/dbraw/zinc/33/43/02/208334302.db2.gz DCLRNYUNFAFVPD-QFIPXVFZSA-N 1 0 373.541 4.286 1 0 FIAFRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-c3ccc4[nH]cnc4c3)cc1)C2 ZINC000045201240 208327541 /nfs/dbraw/zinc/32/75/41/208327541.db2.gz AXORJKGXBIQJSL-OAQYLSRUSA-N 1 0 369.468 4.496 1 0 FIAFRO C[NH+]1CCN(c2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c32)CC1 ZINC000002701525 132383948 /nfs/dbraw/zinc/38/39/48/132383948.db2.gz OLPKXXCSCHAUBL-UHFFFAOYSA-N 1 0 370.456 4.309 1 0 FIAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)C[NH2+]Cc3ccccc3)C[C@@H]1O2 ZINC000095556340 209080243 /nfs/dbraw/zinc/08/02/43/209080243.db2.gz YMTGWKCHKZWDJJ-XERREHJYSA-N 1 0 365.473 4.319 1 0 FIAFRO COc1ccc([C@]2([NH+]3CCN(c4ccccc4)CC3)[C@@H]3C[C@@H](C)C[C@@H]32)cc1 ZINC000101511255 536948959 /nfs/dbraw/zinc/94/89/59/536948959.db2.gz QGLIHYITOQAXBB-BROAAPDQSA-N 1 0 362.517 4.389 1 0 FIAFRO CC1(C)CC(NC(=O)c2ccc(Cc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000140101837 209379187 /nfs/dbraw/zinc/37/91/87/209379187.db2.gz LYADBNMWJVLLIR-UHFFFAOYSA-N 1 0 350.506 4.316 1 0 FIAFRO CN(C)C(=O)c1ccc(N(c2ccccc2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000100760088 209218173 /nfs/dbraw/zinc/21/81/73/209218173.db2.gz XHOCRLBVBKTWIN-KOUNCHBCSA-N 1 0 363.505 4.152 1 0 FIAFRO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000011661801 207317008 /nfs/dbraw/zinc/31/70/08/207317008.db2.gz SYFFJRVTBIXRGV-SFHVURJKSA-N 1 0 374.488 4.290 1 0 FIAFRO O=C1Cc2ccccc2N1C1CC[NH+]([C@H]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000013561287 207468598 /nfs/dbraw/zinc/46/85/98/207468598.db2.gz UXEWRPZUKRZGHB-XJABCFGWSA-N 1 0 352.522 4.399 1 0 FIAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)NCC)c1-3 ZINC000035930570 208137555 /nfs/dbraw/zinc/13/75/55/208137555.db2.gz AUWJEOYYGQLWQK-GOSISDBHSA-N 1 0 350.462 4.327 1 0 FIAFRO Cc1ccc(CN2CC[N@H+]3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)cc1 ZINC000035075215 208116934 /nfs/dbraw/zinc/11/69/34/208116934.db2.gz ZWDRGROQJMUOOH-BPUDTRNYSA-N 1 0 364.533 4.185 1 0 FIAFRO C[C@H]1C[N@@H+]2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075232 208120089 /nfs/dbraw/zinc/12/00/89/208120089.db2.gz OFVJIPBZIJXBCH-QTGUNEKASA-N 1 0 356.554 4.256 1 0 FIAFRO CC(C)(C)[NH2+][C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O ZINC000040953787 208275976 /nfs/dbraw/zinc/27/59/76/208275976.db2.gz NHCOMOPJJHSXMA-GHDQWWTDSA-N 1 0 363.586 4.118 1 0 FIAFRO CCC[C@H]1CC(=O)C[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000040374170 208248763 /nfs/dbraw/zinc/24/87/63/208248763.db2.gz CWLFBVVMPWYBAR-UFONIEFXSA-N 1 0 367.533 4.369 1 0 FIAFRO CCCC[C@@](C)(O)C1=CC[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 ZINC000040511535 208255346 /nfs/dbraw/zinc/25/53/46/208255346.db2.gz LJTJQLDGHOLLEZ-YCAMKHIRSA-N 1 0 369.549 4.471 1 0 FIAFRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1cc(Cl)nc2ccc(OC)cc21 ZINC000045210142 208328394 /nfs/dbraw/zinc/32/83/94/208328394.db2.gz XJIBDOHIONJNPE-OCCRYCDCSA-N 1 0 360.885 4.051 1 0 FIAFRO CC(C)[NH2+]C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045357035 208331251 /nfs/dbraw/zinc/33/12/51/208331251.db2.gz GHJPGPNNFIPPNV-GFCCVEGCSA-N 1 0 366.305 4.304 1 0 FIAFRO Fc1ccc(-c2cccc(N3CCC([NH2+]CCc4c[nH]cn4)CC3)c2)cc1 ZINC000020998354 132267530 /nfs/dbraw/zinc/26/75/30/132267530.db2.gz SYIDYLWZGYEMAF-UHFFFAOYSA-N 1 0 364.468 4.017 1 0 FIAFRO Nc1cc[nH+]c(N2CCC3(CC2)O[C@H](c2ccccc2)c2ccccc23)c1 ZINC000040949987 136120646 /nfs/dbraw/zinc/12/06/46/136120646.db2.gz NPAADSKMLSZJIV-JOCHJYFZSA-N 1 0 357.457 4.279 1 0 FIAFRO CN1CC[NH+](CCCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000053156498 136124821 /nfs/dbraw/zinc/12/48/21/136124821.db2.gz ZKHCDKLHSIZAQE-UHFFFAOYSA-N 1 0 353.535 4.317 1 0 FIAFRO Brc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c2cc[nH]c21 ZINC000026650889 136153267 /nfs/dbraw/zinc/15/32/67/136153267.db2.gz RBUDKKJLRVBPDA-UHFFFAOYSA-N 1 0 370.294 4.253 1 0 in-vivo FIAFRO Cc1c(C(=O)Oc2ccccc2)oc2cccc(OC3CC[NH2+]CC3)c12 ZINC000095555230 209079730 /nfs/dbraw/zinc/07/97/30/209079730.db2.gz DAYWXJHMSOCOPN-UHFFFAOYSA-N 1 0 351.402 4.091 1 0 FIAFRO O[C@H](C[C@@H]1CCCC[NH2+]1)c1cc(C(F)(F)F)nc2ccc(Cl)cc21 ZINC000169334689 209520574 /nfs/dbraw/zinc/52/05/74/209520574.db2.gz IRZLLAIFHYKOPG-XHDPSFHLSA-N 1 0 358.791 4.473 1 0 FIAFRO C[N@@H+]1CCC[C@@](NC(=O)c2ccc(Cl)cc2Cl)(c2ccccc2)C1 ZINC000140007358 209379006 /nfs/dbraw/zinc/37/90/06/209379006.db2.gz OFBDCHBDDZEHBY-IBGZPJMESA-N 1 0 363.288 4.344 1 0 FIAFRO CC(C)(C)[C@H]1CC[C@H]([NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1 ZINC000100852747 209218737 /nfs/dbraw/zinc/21/87/37/209218737.db2.gz OYFATNWHESZHAW-KDURUIRLSA-N 1 0 369.553 4.020 1 0 FIAFRO O=C1[C@@H]2C=CC=C2C[C@H]1CC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000100876499 209218845 /nfs/dbraw/zinc/21/88/45/209218845.db2.gz GGEFSRKFXAJIQL-SJLPKXTDSA-N 1 0 366.436 4.238 1 0 FIAFRO C[C@@H](CF)OC(=O)[C@@H]1[C@@H]2CC[C@@H](C[N@@H+]2C)C[C@@H]1c1ccc(Cl)cc1 ZINC000096941674 209164780 /nfs/dbraw/zinc/16/47/80/209164780.db2.gz ZSLWUVZDXDAKIP-XNKXANNVSA-N 1 0 353.865 4.055 1 0 FIAFRO COc1ccc([C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]3[N@@H+]2Cc2ccccc2)cc1 ZINC000096929578 209163159 /nfs/dbraw/zinc/16/31/59/209163159.db2.gz CQLOYQHVHMMETF-FSSWDIPSSA-N 1 0 364.489 4.070 1 0 FIAFRO Cc1nc2ccccc2c2oc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc21 ZINC000004902861 207060120 /nfs/dbraw/zinc/06/01/20/207060120.db2.gz JYYTZYGKJRWCDL-UHFFFAOYSA-N 1 0 365.477 4.284 1 0 FIAFRO CCn1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc2sc(Cl)cc21 ZINC000005036513 207074980 /nfs/dbraw/zinc/07/49/80/207074980.db2.gz AHCOFPCFYLYNMK-CYBMUJFWSA-N 1 0 367.946 4.370 1 0 FIAFRO CCCC[N@H+](CC)CCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000006730565 207159034 /nfs/dbraw/zinc/15/90/34/207159034.db2.gz YNSGPMHJGSPIHT-UHFFFAOYSA-N 1 0 353.466 4.141 1 0 FIAFRO CC(C)C[N@@H+]1CCc2nc(-c3ccccc3)c3c(c2CC1)CO[C@H](C)C3 ZINC000007991991 207216510 /nfs/dbraw/zinc/21/65/10/207216510.db2.gz VVRAOCDAWWHKMB-QGZVFWFLSA-N 1 0 350.506 4.266 1 0 FIAFRO COc1ccc(C(=O)c2c(C)n(CC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000013742519 207483525 /nfs/dbraw/zinc/48/35/25/207483525.db2.gz GBWWXVUYSLPVNV-UHFFFAOYSA-N 1 0 362.473 4.285 1 0 FIAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1C=CCC[C@@H]1[NH+]1CCCC1 ZINC000026272340 207913307 /nfs/dbraw/zinc/91/33/07/207913307.db2.gz GNJDXCZWVLXCHH-ROUUACIJSA-N 1 0 367.320 4.177 1 0 FIAFRO CCN1CC[NH2+][C@H](c2ccc(O)cc2Cl)[C@@H]1c1ccc(O)cc1Cl ZINC000040810574 208270355 /nfs/dbraw/zinc/27/03/55/208270355.db2.gz LJDIRBHJSCLWRK-MSOLQXFVSA-N 1 0 367.276 4.112 1 0 FIAFRO CCCc1cc(OC)c(C[C@H]2c3cc(O)c(C)cc3CC[N@H+]2C)cc1OC ZINC000045335141 208332619 /nfs/dbraw/zinc/33/26/19/208332619.db2.gz GDOQYCOTOFAPGF-FQEVSTJZSA-N 1 0 369.505 4.442 1 0 FIAFRO Cc1cc(N)nc2cc(C[NH2+]CCc3ccccc3Br)ccc12 ZINC000045167707 208326418 /nfs/dbraw/zinc/32/64/18/208326418.db2.gz OQWAKRABXWYKQL-UHFFFAOYSA-N 1 0 370.294 4.220 1 0 FIAFRO C[NH+](C)CCCN1C(=O)/C(=C/c2ccccc2)Oc2ccc(Cl)cc21 ZINC000169324437 132261498 /nfs/dbraw/zinc/26/14/98/132261498.db2.gz WQEHMGXDJRUVNP-UYRXBGFRSA-N 1 0 356.853 4.058 1 0 FIAFRO Nc1c2ccccc2nc2c1[C@H]([NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000001913929 132382551 /nfs/dbraw/zinc/38/25/51/132382551.db2.gz FDSMRKVPFKEAPH-OAQYLSRUSA-N 1 0 358.489 4.017 1 0 FIAFRO O=C([C@H](Cc1ccccc1)c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000095557100 209079952 /nfs/dbraw/zinc/07/99/52/209079952.db2.gz JWTPVRZITWJWPW-HSZRJFAPSA-N 1 0 362.517 4.100 1 0 FIAFRO Cc1nn2c(nc(C(C)C)cc2NCC[NH+](C)C)c1-c1ccc(C)cc1 ZINC000095558567 209080142 /nfs/dbraw/zinc/08/01/42/209080142.db2.gz PSRSUYDZIBWNQR-UHFFFAOYSA-N 1 0 351.498 4.110 1 0 FIAFRO c1ccc(Cc2ccc(OC[C@H]3CN(Cc4ccccc4)CC[NH2+]3)cc2)cc1 ZINC000049089065 581092012 /nfs/dbraw/zinc/09/20/12/581092012.db2.gz POXGQRTZXDIFDA-XMMPIXPASA-N 1 0 372.512 4.130 1 0 FIAFRO C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C[NH+](C)C)ccc21 ZINC000103245973 209249437 /nfs/dbraw/zinc/24/94/37/209249437.db2.gz LCSGAWOOXVASDT-JOCHJYFZSA-N 1 0 356.485 4.003 1 0 FIAFRO C[C@@H]([18F])C(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000101031965 209220889 /nfs/dbraw/zinc/22/08/89/209220889.db2.gz QPOSPHNNBYIFHO-BYNNLANUSA-N 1 0 353.472 4.085 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(Cl)cc2Cl)C1C(=O)OC ZINC000096901785 209160507 /nfs/dbraw/zinc/16/05/07/209160507.db2.gz MXBUGAZMIAKHDO-NWCRWOLESA-N 1 0 370.232 4.415 1 0 FIAFRO Brc1ccccc1Cn1c2ccccc2nc1C[NH+]1CCCC1 ZINC000096285114 209150517 /nfs/dbraw/zinc/15/05/17/209150517.db2.gz QNJQBPMKKGIQKU-UHFFFAOYSA-N 1 0 370.294 4.443 1 0 FIAFRO COc1cccc(CC[NH2+][C@@H]2CCCc3c2ccc(=O)n3CC=C(C)C)c1 ZINC000013743311 207483602 /nfs/dbraw/zinc/48/36/02/207483602.db2.gz MQVSWHLTWWHNRD-OAQYLSRUSA-N 1 0 366.505 4.033 1 0 FIAFRO Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000013799244 207487257 /nfs/dbraw/zinc/48/72/57/207487257.db2.gz RUCVLTFMJJZXOA-UHFFFAOYSA-N 1 0 361.489 4.297 1 0 FIAFRO CC(C)C1CCC([NH+]2CCC3(CC2)C(=O)NCc2cc(F)ccc23)CC1 ZINC000014977311 207536149 /nfs/dbraw/zinc/53/61/49/207536149.db2.gz CQBACSJGNXXJCS-UHFFFAOYSA-N 1 0 358.501 4.004 1 0 FIAFRO CCC[C@H]1CC(=O)C[C@@]23CC[N@H+](CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 ZINC000029471315 207991723 /nfs/dbraw/zinc/99/17/23/207991723.db2.gz ASRGIKPNODZIHT-IMNFJDCFSA-N 1 0 367.533 4.456 1 0 FIAFRO CN1c2cc(O)ccc2C2(CC[NH+](CC3CCCCCCC3)CC2)C1=O ZINC000028526345 207966023 /nfs/dbraw/zinc/96/60/23/207966023.db2.gz JMZGMPBGCNDQAB-UHFFFAOYSA-N 1 0 356.510 4.063 1 0 FIAFRO CC(C)(C)[C@H]([NH3+])C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1 ZINC000036126648 208149594 /nfs/dbraw/zinc/14/95/94/208149594.db2.gz SGSKDJMEPQTYQW-VQTJNVASSA-N 1 0 370.443 4.305 1 0 FIAFRO c1cnn(-c2ccc(Oc3ccc4c(c3)CC[N@H+](C3CCC3)CC4)nc2)c1 ZINC000038931332 208208189 /nfs/dbraw/zinc/20/81/89/208208189.db2.gz ZQUHCMSLRYODBS-UHFFFAOYSA-N 1 0 360.461 4.013 1 0 FIAFRO CC(C)C1([NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)CCCCC1 ZINC000038147586 208198631 /nfs/dbraw/zinc/19/86/31/208198631.db2.gz NSEZFRRUDHGUMJ-HXUWFJFHSA-N 1 0 354.538 4.341 1 0 FIAFRO CCC1([NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccc(F)cc2)CCCCC1 ZINC000038147592 208200052 /nfs/dbraw/zinc/20/00/52/208200052.db2.gz XIZQCMRURAZCEL-LJQANCHMSA-N 1 0 358.501 4.234 1 0 FIAFRO OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ncccc12 ZINC000040863263 208272362 /nfs/dbraw/zinc/27/23/62/208272362.db2.gz CASUKCWJIMZQFD-HTZLVSCSSA-N 1 0 367.880 4.231 1 0 FIAFRO Cc1ccccc1C1CC[NH+](C[C@@H]2CCc3cccnc3[C@](C)(O)C2)CC1 ZINC000040891899 208274110 /nfs/dbraw/zinc/27/41/10/208274110.db2.gz LLVIHIGNWJROAZ-NTKDMRAZSA-N 1 0 364.533 4.430 1 0 FIAFRO CCCCNC(=O)Nc1cccc2c1C[N@H+](C)C[C@H]2c1ccc(C)cc1 ZINC000040617106 208258743 /nfs/dbraw/zinc/25/87/43/208258743.db2.gz JCYSDBKVHHZLNV-IBGZPJMESA-N 1 0 351.494 4.494 1 0 FIAFRO CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CC[N@@H+]3CC2CC2)CC(=O)[C@H]1C ZINC000040670365 208261165 /nfs/dbraw/zinc/26/11/65/208261165.db2.gz OQUJWCCEFSDNKI-DMGHLFLOSA-N 1 0 367.533 4.225 1 0 FIAFRO CC(C)(O)c1ccc([C@]2(c3cccc(O)c3)CCC[N@H+](CC3CC3)C2)cc1 ZINC000045348050 208331403 /nfs/dbraw/zinc/33/14/03/208331403.db2.gz HJOCSJIDBUPHMN-DEOSSOPVSA-N 1 0 365.517 4.412 1 0 FIAFRO [NH3+][C@H]1CCN(Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C1 ZINC000045168587 208326542 /nfs/dbraw/zinc/32/65/42/208326542.db2.gz UUBYDAMQRANIIK-NRFANRHFSA-N 1 0 368.484 4.430 1 0 FIAFRO CN(c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1)c1ccnc(N)n1 ZINC000045227622 208327137 /nfs/dbraw/zinc/32/71/37/208327137.db2.gz UPHJQAGUEYFQTH-UHFFFAOYSA-N 1 0 368.828 4.124 1 0 FIAFRO O=C(N[C@@H]1CCN(c2ccnc3cc(Cl)ccc32)C1)c1ccccc1F ZINC000045228094 208328027 /nfs/dbraw/zinc/32/80/27/208328027.db2.gz BLWIMNLEJJNITC-CQSZACIVSA-N 1 0 369.827 4.036 1 0 FIAFRO O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1sc2ccccc2c1Cl ZINC000084690218 208960506 /nfs/dbraw/zinc/96/05/06/208960506.db2.gz KYYVFXLCDRLKOX-UHFFFAOYSA-N 1 0 355.850 4.157 1 0 FIAFRO CCC(=O)C[C@H]1c2ccccc2[NH+]=C(n2ccnc2)N1c1ccc(F)cc1 ZINC000103176609 132236935 /nfs/dbraw/zinc/23/69/35/132236935.db2.gz KMIYBIZAONFAOE-FQEVSTJZSA-N 1 0 362.408 4.489 1 0 FIAFRO Cc1cccc(-c2nc(CN3CCN(c4ccc(F)cc4)CC3)co2)c1 ZINC000072185060 136143878 /nfs/dbraw/zinc/14/38/78/136143878.db2.gz OEASSRKFPJWUKO-UHFFFAOYSA-N 1 0 351.425 4.111 1 0 FIAFRO O=C1N[C@@H]2CCCC[C@H]2N1C1CC[NH+]([C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000095607775 209085012 /nfs/dbraw/zinc/08/50/12/209085012.db2.gz RVFJUGFEQYVYCP-JBYOPCTKSA-N 1 0 359.558 4.146 1 0 FIAFRO CC(C)N(C(=O)c1ccc(Cl)cc1)c1cccc(N2CC[NH+](C)CC2)c1 ZINC000058582627 534955834 /nfs/dbraw/zinc/95/58/34/534955834.db2.gz LZYXVOFZAPATAZ-UHFFFAOYSA-N 1 0 371.912 4.147 1 0 FIAFRO CC[NH+](CC)CCCN1c2ccccc2O/C(=C\c2ccccc2)C1=O ZINC000169324471 535510953 /nfs/dbraw/zinc/51/09/53/535510953.db2.gz ILEMSHFUDLCQFN-FXBPSFAMSA-N 1 0 350.462 4.185 1 0 FIAFRO C[NH+]1CCN(c2ncc(-c3ccccc3)c(-c3c[nH]c4ccccc34)n2)CC1 ZINC000103297206 536425580 /nfs/dbraw/zinc/42/55/80/536425580.db2.gz CKWQINNXSPWUFQ-UHFFFAOYSA-N 1 0 369.472 4.044 1 0 FIAFRO Clc1cccc(Cc2nc3c(ccnc3NCC[C@H]3CCCC[NH2+]3)o2)c1 ZINC000028526271 581095712 /nfs/dbraw/zinc/09/57/12/581095712.db2.gz KBJGRHGRZYRRHG-MRXNPFEDSA-N 1 0 370.884 4.411 1 0 FIAFRO Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)C[C@H]3CCCC[NH2+]3)c2c1 ZINC000169334037 209520385 /nfs/dbraw/zinc/52/03/85/209520385.db2.gz KXGCWJQQFJMQKK-CZUORRHYSA-N 1 0 352.400 4.436 1 0 FIAFRO Nc1nc(-c2ccc(Cl)o2)nc2sc(C[NH+]3CCC(F)CC3)cc21 ZINC000118596419 209348704 /nfs/dbraw/zinc/34/87/04/209348704.db2.gz QVZKQFXSTMMYJT-UHFFFAOYSA-N 1 0 366.849 4.121 1 0 FIAFRO Clc1ccc([C@H](C[NH2+]Cc2ccccc2)Cn2cncn2)c(Cl)c1 ZINC000103174846 209246410 /nfs/dbraw/zinc/24/64/10/209246410.db2.gz BJSDUMXLGOEJOO-OAHLLOKOSA-N 1 0 361.276 4.159 1 0 FIAFRO O[C@@H]1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)[NH+]2CCC1CC2 ZINC000102429988 209235618 /nfs/dbraw/zinc/23/56/18/209235618.db2.gz LPXUPIFUOZFOIK-UWYGHVLSSA-N 1 0 362.448 4.256 1 0 FIAFRO NC(=O)c1cccc(S[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000101363742 209224835 /nfs/dbraw/zinc/22/48/35/209224835.db2.gz HBVXHJWHKVRGLG-RUYXUALKSA-N 1 0 352.503 4.073 1 0 FIAFRO C[C@H]([18F])C(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000101031963 209220129 /nfs/dbraw/zinc/22/01/29/209220129.db2.gz QPOSPHNNBYIFHO-VQOOMOCHSA-N 1 0 353.472 4.085 1 0 FIAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccs1 ZINC000096922460 209161991 /nfs/dbraw/zinc/16/19/91/209161991.db2.gz GYMBYNUNONBMHS-WMZOPIPTSA-N 1 0 369.534 4.372 1 0 FIAFRO Cc1nc2ccccc2c2oc(C(=O)NCCC[NH+]3CCC(C)CC3)cc21 ZINC000004902158 207060403 /nfs/dbraw/zinc/06/04/03/207060403.db2.gz UKTGTHRVLPFQQU-UHFFFAOYSA-N 1 0 365.477 4.141 3 0 FIAFRO OC[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000011661560 207317026 /nfs/dbraw/zinc/31/70/26/207317026.db2.gz PITCZTJEGNGQAM-QHCPKHFHSA-N 1 0 364.464 4.191 1 0 FIAFRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012481231 207383683 /nfs/dbraw/zinc/38/36/83/207383683.db2.gz VOOMTGMTOGFBQE-SEJPIABJSA-N 1 0 370.443 4.280 3 0 FIAFRO C[NH+]1CCC(c2coc3ccc(NC(=O)c4ccc(F)cc4)nc32)CC1 ZINC000013588431 207470285 /nfs/dbraw/zinc/47/02/85/207470285.db2.gz HRWIWORTVMTKLU-UHFFFAOYSA-N 1 0 353.397 4.028 1 0 FIAFRO C[NH2+]CC[C@@H](Oc1cccc(I)c1)c1ccccc1 ZINC000013730750 207482453 /nfs/dbraw/zinc/48/24/53/207482453.db2.gz SUBJTCFXQZZZTM-MRXNPFEDSA-N 1 0 367.230 4.021 1 0 FIAFRO Cn1cc([C@@H](C[NH3+])c2cncc(/C=C/c3ccncc3)c2)c2ccccc21 ZINC000014957723 207533264 /nfs/dbraw/zinc/53/32/64/207533264.db2.gz SJDGHXXYFFXVPE-BXKJMJEDSA-N 1 0 354.457 4.229 1 0 FIAFRO CCCC[C@@](C)(O)C1=CC[C@@]23CC[N@H+](C)[C@@H](Cc4ccc(OC)cc42)[C@@H]3C1 ZINC000027716193 207937534 /nfs/dbraw/zinc/93/75/34/207937534.db2.gz LJTJQLDGHOLLEZ-CJRSTVEYSA-N 1 0 369.549 4.471 1 0 FIAFRO CC(C)Oc1cc(NC2(CCC[NH3+])CC2)c2nc(C(F)(F)F)ccc2n1 ZINC000028826055 207976634 /nfs/dbraw/zinc/97/66/34/207976634.db2.gz KPYYTDPOFMMDHV-UHFFFAOYSA-N 1 0 368.403 4.119 1 0 FIAFRO CC1CC[NH+](CCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)CC1 ZINC000031848090 208020809 /nfs/dbraw/zinc/02/08/09/208020809.db2.gz QSQGXCBQNOUZHH-UHFFFAOYSA-N 1 0 362.477 4.290 1 0 FIAFRO OCC[N@@H+]1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160961 208150080 /nfs/dbraw/zinc/15/00/80/208150080.db2.gz VROCHRIONFIYID-HXUWFJFHSA-N 1 0 351.425 4.012 1 0 FIAFRO O[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)C[C@H]1[NH2+]Cc1ccccc1 ZINC000036271489 208152862 /nfs/dbraw/zinc/15/28/62/208152862.db2.gz KVFPFYVUWUNGRU-TZRRMPRUSA-N 1 0 373.496 4.127 1 0 FIAFRO COc1cccc([C@@H](O)C2CC[NH+](CCc3ccc(C)cc3)CC2)c1OC ZINC000040949673 208276538 /nfs/dbraw/zinc/27/65/38/208276538.db2.gz PTMIUFFWTDLVGW-QFIPXVFZSA-N 1 0 369.505 4.000 1 0 FIAFRO CCC[C@H]1CC(=O)C[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000040373816 208248525 /nfs/dbraw/zinc/24/85/25/208248525.db2.gz ILZGABAAVFSXBX-VQROGVPDSA-N 1 0 353.506 4.066 1 0 FIAFRO COC(=O)/C=C1\c2ccccc2-c2ccc(OCC[NH+]3CCCCC3)cc21 ZINC000040457109 208254436 /nfs/dbraw/zinc/25/44/36/208254436.db2.gz RTQUFSNLDJGBIR-CJLVFECKSA-N 1 0 363.457 4.136 1 0 FIAFRO CC[C@@H]1CC(=O)C[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 ZINC000040663067 208260260 /nfs/dbraw/zinc/26/02/60/208260260.db2.gz BQLQSIRUAFRJJC-SFUZCSOBSA-N 1 0 367.533 4.369 1 0 FIAFRO CCO[C@H](c1ccc(C(=O)OC)cc1)[C@@H](SC(C)(C)C)n1ccnc1 ZINC000045366134 208332438 /nfs/dbraw/zinc/33/24/38/208332438.db2.gz PFORGQXALRKXGD-IAGOWNOFSA-N 1 0 362.495 4.478 1 0 FIAFRO COc1ccc(Cl)c(C[C@H]2c3cc(O)c(Cl)cc3CCN2C)c1 ZINC000045228782 208326479 /nfs/dbraw/zinc/32/64/79/208326479.db2.gz CIZJWUMBIRRKGW-KRWDZBQOSA-N 1 0 352.261 4.479 1 0 FIAFRO COc1cc(C[C@H]2c3cc(O)c(Cl)cc3CCN2C)c(OC)cc1C ZINC000045229555 208326642 /nfs/dbraw/zinc/32/66/42/208326642.db2.gz ZNSZIIRJGKKCAF-KRWDZBQOSA-N 1 0 361.869 4.143 1 0 FIAFRO O=C(N[C@H]1CCN(c2ccnc3cc(Cl)ccc32)C1)c1ccccc1F ZINC000045228097 208328153 /nfs/dbraw/zinc/32/81/53/208328153.db2.gz BLWIMNLEJJNITC-AWEZNQCLSA-N 1 0 369.827 4.036 1 0 FIAFRO Clc1ccc2c(c1)nccc2NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000026653421 136153228 /nfs/dbraw/zinc/15/32/28/136153228.db2.gz KSPCOHNUULUQFB-UHFFFAOYSA-N 1 0 366.896 4.122 1 0 FIAFRO CC[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(C)c3cscc32)CC1 ZINC000169332524 209520419 /nfs/dbraw/zinc/52/04/19/209520419.db2.gz KBOYKQWURODRDR-UHFFFAOYSA-N 1 0 360.914 4.199 1 0 FIAFRO Fc1ccc(-c2ccc([C@@H]3[C@@H]4CN(Cc5ccccc5)C[C@H]3[NH2+]4)cc2)cc1 ZINC000100106084 209209472 /nfs/dbraw/zinc/20/94/72/209209472.db2.gz ABCSXOCXFCHOCM-UBRQYEGLSA-N 1 0 358.460 4.433 1 0 FIAFRO FC(F)(F)c1ccccc1-c1ccc2ncnc(NC3CC[NH2+]CC3)c2c1 ZINC000004267272 207009135 /nfs/dbraw/zinc/00/91/35/207009135.db2.gz LJHQKSIEWYRQNS-UHFFFAOYSA-N 1 0 372.394 4.480 1 0 FIAFRO O=C(C[NH2+]CCC1=CCCCC1)Nc1ccccc1N1CCCCCC1 ZINC000004895873 207060581 /nfs/dbraw/zinc/06/05/81/207060581.db2.gz BFWJLIYCHQTHGN-UHFFFAOYSA-N 1 0 355.526 4.486 3 0 FIAFRO O=C1Nc2ccc(F)c3c2c1c(-c1ccc[nH]1)cc3SC[C@@H]1CCC[NH2+]1 ZINC000012354983 207365171 /nfs/dbraw/zinc/36/51/71/207365171.db2.gz DNXLFICBXNMUNW-NSHDSACASA-N 1 0 367.449 4.384 1 0 FIAFRO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@H]2CC(=O)c3ccccc32)CC1 ZINC000012356165 207365565 /nfs/dbraw/zinc/36/55/65/207365565.db2.gz GMDLSAWBJALPNC-QGZVFWFLSA-N 1 0 351.421 4.091 1 0 FIAFRO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]Cc4ccsc4)CC3)nc2c1 ZINC000015005507 207537364 /nfs/dbraw/zinc/53/73/64/207537364.db2.gz AXKGBMPQKKPENR-SFHVURJKSA-N 1 0 366.534 4.457 1 0 FIAFRO O=C(Cc1cccc2sccc21)N1C[C@@H]2CCC[N@@H+]2[C@@H]2CCCC[C@H]21 ZINC000029396684 207989673 /nfs/dbraw/zinc/98/96/73/207989673.db2.gz MZFRACSRDGXGRX-QXAKKESOSA-N 1 0 354.519 4.062 1 0 FIAFRO Oc1ccc2c(cccc2CCCN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000028711318 207971927 /nfs/dbraw/zinc/97/19/27/207971927.db2.gz YYBNNSAXTOUCNR-UHFFFAOYSA-N 1 0 352.522 4.428 1 0 FIAFRO CC[NH+](CC)CCn1nc2c3c1ccc(Cl)c3[S@@](=O)c1ccccc1-2 ZINC000029317879 207988378 /nfs/dbraw/zinc/98/83/78/207988378.db2.gz LHSHAKBGBKSNIF-RUZDIDTESA-N 1 0 373.909 4.179 1 0 FIAFRO O=C1N[C@@H]2CCCC[C@H]2N1C1CC[NH+]([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000034281875 208102952 /nfs/dbraw/zinc/10/29/52/208102952.db2.gz RVFJUGFEQYVYCP-MIGBRYPXSA-N 1 0 359.558 4.146 1 0 FIAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2Br)C1 ZINC000036238006 208151469 /nfs/dbraw/zinc/15/14/69/208151469.db2.gz YFZYRKUTAITPML-AWEZNQCLSA-N 1 0 366.686 4.428 1 0 FIAFRO CCC1([NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccc(F)cc2)CCCCC1 ZINC000038147591 208197827 /nfs/dbraw/zinc/19/78/27/208197827.db2.gz XIZQCMRURAZCEL-IBGZPJMESA-N 1 0 358.501 4.234 1 0 FIAFRO O=C1NC[C@@H](c2ccccc2)C12CC[NH+](C1(C3CC3)CCCCC1)CC2 ZINC000038357691 208201601 /nfs/dbraw/zinc/20/16/01/208201601.db2.gz DJMKLJQFMUSLBV-FQEVSTJZSA-N 1 0 352.522 4.095 1 0 FIAFRO COc1cccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)c1 ZINC000040899299 208274010 /nfs/dbraw/zinc/27/40/10/208274010.db2.gz UYZOQSDBCHBTSN-AAIMPIBUSA-N 1 0 356.554 4.464 1 0 FIAFRO Cc1c(-c2cc(-c3c(F)cccc3Cl)no2)cnn1C1CC[NH2+]CC1 ZINC000040972761 208278709 /nfs/dbraw/zinc/27/87/09/208278709.db2.gz PVEBSIDPZPWPTL-UHFFFAOYSA-N 1 0 360.820 4.231 1 0 FIAFRO COc1ccc2c(c1)[C@H](c1ccccc1N)[N@@H+](CCOc1ccccc1)CC2 ZINC000040407484 208253261 /nfs/dbraw/zinc/25/32/61/208253261.db2.gz ZBZLSJOEHCUEAM-DEOSSOPVSA-N 1 0 374.484 4.304 1 0 FIAFRO CCCC[C@](C)(O)C1=CC[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]3C1 ZINC000040511534 208255398 /nfs/dbraw/zinc/25/53/98/208255398.db2.gz LJTJQLDGHOLLEZ-LWSSLDFYSA-N 1 0 369.549 4.471 1 0 FIAFRO Fc1ccc(-c2[nH]cc(CCC[NH+]3CCOCC3)c2-c2ccncc2)cc1 ZINC000043013647 208301320 /nfs/dbraw/zinc/30/13/20/208301320.db2.gz RHNYOTYYWXIEJE-UHFFFAOYSA-N 1 0 365.452 4.148 1 0 FIAFRO O=C(N[C@@H]1CC[N@H+](Cc2ccc3cc(F)ccc3c2)C1)c1ccc(F)cc1 ZINC000043122218 208303800 /nfs/dbraw/zinc/30/38/00/208303800.db2.gz GBEZOOMNAQDDIS-OAQYLSRUSA-N 1 0 366.411 4.122 1 0 FIAFRO Cc1cc2ccc(C[NH2+]CCc3ccccc3Br)cc2nc1N ZINC000045318318 208329524 /nfs/dbraw/zinc/32/95/24/208329524.db2.gz NXPQONOEQSYKHL-UHFFFAOYSA-N 1 0 370.294 4.220 1 0 FIAFRO [NH3+][C@@H]1CCCC[C@H]1Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 ZINC000095920921 209087413 /nfs/dbraw/zinc/08/74/13/209087413.db2.gz LODPYXJMYAQIRB-WOJBJXKFSA-N 1 0 357.461 4.231 1 0 in-vitro FIAFRO C[NH+](C)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)Oc2ccccc21 ZINC000169324446 132261477 /nfs/dbraw/zinc/26/14/77/132261477.db2.gz CYYFVKFKYLLKGQ-RGEXLXHISA-N 1 0 356.853 4.058 1 0 FIAFRO CCc1ccccc1-c1ccc2nc(NC(=O)NCC[NH+](C)C)sc2c1 ZINC000095602275 209084897 /nfs/dbraw/zinc/08/48/97/209084897.db2.gz HZTRFYKKMCHMIG-UHFFFAOYSA-N 1 0 368.506 4.209 1 0 FIAFRO O[C@H](c1ccccc1)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000143298772 209379605 /nfs/dbraw/zinc/37/96/05/209379605.db2.gz BBMXHMMGPRLFBR-LOSJGSFVSA-N 1 0 372.512 4.279 1 0 FIAFRO Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C(N)=O)c1)C2 ZINC000101366414 209224857 /nfs/dbraw/zinc/22/48/57/209224857.db2.gz IQTXUDCVFFYTOM-RDPOXOKHSA-N 1 0 364.489 4.229 1 0 FIAFRO Fc1cccc(CN2C[C@@H]3[NH2+][C@H](C2)[C@@H]3c2ccc(-c3ccccc3)cc2)c1 ZINC000100101830 209209349 /nfs/dbraw/zinc/20/93/49/209209349.db2.gz IUEROJDQOBGUFP-UBRQYEGLSA-N 1 0 358.460 4.433 1 0 FIAFRO FC(F)(F)COC[C@]12C[C@@]1(c1ccc(Cl)c(Cl)c1)CC[NH2+]C2 ZINC000096900900 209160883 /nfs/dbraw/zinc/16/08/83/209160883.db2.gz TYRLWIIURFREJC-ZIAGYGMSSA-N 1 0 354.199 4.194 1 0 FIAFRO COc1cccc(-c2cccc([C@@]3(c4ccncc4)NC(=[NH2+])CS3)c2)c1 ZINC000096906036 209160452 /nfs/dbraw/zinc/16/04/52/209160452.db2.gz PEXWMBKSLYMVGI-NRFANRHFSA-N 1 0 361.470 4.062 1 0 FIAFRO O=C(Oc1ccccc1)N1CCC2(CC1)CC[NH+](Cc1nccs1)CC2 ZINC000004237935 207008585 /nfs/dbraw/zinc/00/85/85/207008585.db2.gz WVBYJIUDJYQGMN-UHFFFAOYSA-N 1 0 371.506 4.020 1 0 FIAFRO CC(C)C[N@@H+]1CCc2nc(-c3ccccc3)c3c(c2CC1)CO[C@@H](C)C3 ZINC000007991992 207215526 /nfs/dbraw/zinc/21/55/26/207215526.db2.gz VVRAOCDAWWHKMB-KRWDZBQOSA-N 1 0 350.506 4.266 1 0 FIAFRO CCOC1(OCC)[C@H]2c3cc(Cl)ccc3[C@H]([n+]3ccccc32)C1(C)C ZINC000027518457 207931774 /nfs/dbraw/zinc/93/17/74/207931774.db2.gz FIOXJHIGIIFMOK-OALUTQOASA-N 1 0 358.889 4.471 1 0 FIAFRO C[NH+](C)CCCc1c2c(nc3ccccc31)-c1cc3ccccc3c(=O)n1C2 ZINC000040403693 208251154 /nfs/dbraw/zinc/25/11/54/208251154.db2.gz FRTUHOBKPCYQOT-UHFFFAOYSA-N 1 0 369.468 4.073 1 0 FIAFRO CCCCNC(=O)Nc1cccc2c1C[N@H+](C)C[C@@H]2c1ccc(C)cc1 ZINC000040617104 208259559 /nfs/dbraw/zinc/25/95/59/208259559.db2.gz JCYSDBKVHHZLNV-LJQANCHMSA-N 1 0 351.494 4.494 1 0 FIAFRO CC[C@@H]1[C@@H](C)C(=O)C[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 ZINC000040650998 208260638 /nfs/dbraw/zinc/26/06/38/208260638.db2.gz OQUJWCCEFSDNKI-MQWGLAERSA-N 1 0 367.533 4.225 1 0 FIAFRO CCO[C@H](c1ccc2c(c1)OCCO2)[C@@H](SC(C)(C)C)n1ccnc1 ZINC000045365269 208331358 /nfs/dbraw/zinc/33/13/58/208331358.db2.gz CAUHKDAIFSLMRU-QZTJIDSGSA-N 1 0 362.495 4.462 1 0 FIAFRO [NH3+][C@@H]1CCN(Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1 ZINC000045202749 208327322 /nfs/dbraw/zinc/32/73/22/208327322.db2.gz PTHGMKSMLXDPEX-OAQYLSRUSA-N 1 0 368.484 4.430 1 0 FIAFRO CCCOc1ccc(-c2cccc(C(=O)NCC[NH+](CC)CC)c2)cc1 ZINC000084688193 208961199 /nfs/dbraw/zinc/96/11/99/208961199.db2.gz CBTKDZBECYNAGP-UHFFFAOYSA-N 1 0 354.494 4.214 1 0 FIAFRO Cc1ccc(N2CC[NH+](Cc3ccc4ccc(=O)oc4c3)CC2)cc1Cl ZINC000053186222 136124720 /nfs/dbraw/zinc/12/47/20/136124720.db2.gz RBQPTMARORFSKO-UHFFFAOYSA-N 1 0 368.864 4.077 1 0 FIAFRO Cc1nc(-c2cccc(N3CCC([NH2+][C@H]4CCSC4)CC3)c2)cs1 ZINC000023192972 136152380 /nfs/dbraw/zinc/15/23/80/136152380.db2.gz ZRGQCFYWQMQPNW-KRWDZBQOSA-N 1 0 359.564 4.182 1 0 FIAFRO CC[NH2+]Cc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 ZINC000095594034 209083999 /nfs/dbraw/zinc/08/39/99/209083999.db2.gz PMOYHZUHMRBKJN-UHFFFAOYSA-N 1 0 351.841 4.016 1 0 FIAFRO COc1ccccc1NC(=O)Nc1nc([C@H]([NH3+])Cc2ccccc2)cs1 ZINC000061925582 212027606 /nfs/dbraw/zinc/02/76/06/212027606.db2.gz LVKPYKHFSNBMAL-CQSZACIVSA-N 1 0 368.462 4.038 3 0 FIAFRO Cc1ccccc1NC(=O)Nc1nc([C@@H]([NH3+])Cc2ccccc2)cs1 ZINC000061908636 212026259 /nfs/dbraw/zinc/02/62/59/212026259.db2.gz QZPHWROOYJMUFW-HNNXBMFYSA-N 1 0 352.463 4.338 3 0 FIAFRO COc1ccc2c(c1)[C@]13CC[N@@H+](C)C[C@@]1(C2)Cc1c2ccccc2n(C)c1C3 ZINC000058598717 212012790 /nfs/dbraw/zinc/01/27/90/212012790.db2.gz OFQDHATUPFOYDM-JWQCQUIFSA-N 1 0 372.512 4.102 1 0 FIAFRO O=C(NCC1CC[NH2+]CC1)c1ccccc1-c1cccc(C(F)(F)F)c1 ZINC000049047883 211883815 /nfs/dbraw/zinc/88/38/15/211883815.db2.gz OHJZLVQSQPDTJH-UHFFFAOYSA-N 1 0 362.395 4.102 1 0 FIAFRO CO[C@@H]1Cc2ccccc2[C@]2(CCC[N@H+](CCCc3ccccc3)C2)O1 ZINC000045319802 211814192 /nfs/dbraw/zinc/81/41/92/211814192.db2.gz ZQQMWLKKSVHRHG-XZOQPEGZSA-N 1 0 351.490 4.156 1 0 FIAFRO CN(C(=O)Cc1cccc2ccccc21)[C@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000026839229 211456060 /nfs/dbraw/zinc/45/60/60/211456060.db2.gz WHXOYHJXSJLTPK-FCHUYYIVSA-N 1 0 350.506 4.248 1 0 FIAFRO COc1cc(Cl)cc2c1Sc1ccccc1C[C@H]2N1CC[NH2+]CC1 ZINC000022459562 211350013 /nfs/dbraw/zinc/35/00/13/211350013.db2.gz HXYCAICFUKZMTG-MRXNPFEDSA-N 1 0 360.910 4.002 1 0 FIAFRO COc1cccc2c1Sc1ccc(Cl)cc1C[C@@H]2N1CC[NH2+]CC1 ZINC000022459484 211349601 /nfs/dbraw/zinc/34/96/01/211349601.db2.gz MCIDIYXTIHXJAI-INIZCTEOSA-N 1 0 360.910 4.002 1 0 FIAFRO C[NH2+]CC[C@H](Oc1ccc(I)cc1)c1ccccc1 ZINC000013730759 211053727 /nfs/dbraw/zinc/05/37/27/211053727.db2.gz BAEJWAJUFOTUFW-INIZCTEOSA-N 1 0 367.230 4.021 1 0 FIAFRO CN(Cc1ccnc(C(F)(F)F)c1)c1ccc2c3c(cccc31)C(=[NH2+])N2 ZINC000013741451 211055984 /nfs/dbraw/zinc/05/59/84/211055984.db2.gz JUPIKZCYHKMLSJ-UHFFFAOYSA-N 1 0 356.351 4.240 1 0 FIAFRO CO[C@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1[N@@H+]2C ZINC000013643564 211045418 /nfs/dbraw/zinc/04/54/18/211045418.db2.gz DRRFJWRBSWXNFW-BURNTYAHSA-N 1 0 373.443 4.321 1 0 FIAFRO C[NH+](C)C[C@@H]1C[C@H]2c3cc(C(F)(F)F)ccc3Cc3ccccc3N2O1 ZINC000013437241 211034172 /nfs/dbraw/zinc/03/41/72/211034172.db2.gz WPLHYZJLPBROHU-LPHOPBHVSA-N 1 0 362.395 4.423 1 0 FIAFRO COc1ccccc1-c1cccn([C@H](C[NH+]2CCCC2)c2ccccc2)c1=O ZINC000013436620 211033930 /nfs/dbraw/zinc/03/39/30/211033930.db2.gz ARSREBXKSOCHHV-JOCHJYFZSA-N 1 0 374.484 4.209 1 0 FIAFRO COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(C)=O)[N@@H+]2Cc1ccccc1 ZINC000013119459 211023690 /nfs/dbraw/zinc/02/36/90/211023690.db2.gz LMGVVDBQPNRMPT-LCKKVJLRSA-N 1 0 365.473 4.147 3 0 FIAFRO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 ZINC000003904214 210499067 /nfs/dbraw/zinc/49/90/67/210499067.db2.gz OCSQLIYKMCOZCT-IBGZPJMESA-N 1 0 357.885 4.248 1 0 FIAFRO Cc1cc(C)cc(NC(=O)c2cccnc2SCc2cc[n+](C)cc2)c1 ZINC000066077662 221240677 /nfs/dbraw/zinc/24/06/77/221240677.db2.gz OWCYXAATKDFFPA-UHFFFAOYSA-O 1 0 364.494 4.068 1 0 FIAFRO Cc1[nH]c2c(cc(N3CCOCC3)[nH+]c2NCc2c(C)cccc2C)c1C ZINC000045230379 136121927 /nfs/dbraw/zinc/12/19/27/136121927.db2.gz QCVYKJOXAWNXAJ-UHFFFAOYSA-N 1 0 364.493 4.245 1 0 FIAFRO Brc1cccc(Cn2c3ccccc3nc2C[NH+]2CCCC2)c1 ZINC000096285127 222110395 /nfs/dbraw/zinc/11/03/95/222110395.db2.gz MYZRLRRDRPQMKL-UHFFFAOYSA-N 1 0 370.294 4.443 1 0 FIAFRO COc1cccc(-c2cccc([C@]3(c4ccncc4)NC(=[NH2+])CS3)c2)c1 ZINC000096906035 222137501 /nfs/dbraw/zinc/13/75/01/222137501.db2.gz PEXWMBKSLYMVGI-OAQYLSRUSA-N 1 0 361.470 4.062 1 0 FIAFRO O=C1CS[C@H](c2c(Cl)cccc2Cl)N1CC[NH+]1CCCCC1 ZINC000096928645 222141357 /nfs/dbraw/zinc/14/13/57/222141357.db2.gz NAAUCTMXPMHSCE-MRXNPFEDSA-N 1 0 359.322 4.053 1 0 FIAFRO C[NH+](C)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 ZINC000096938380 222144026 /nfs/dbraw/zinc/14/40/26/222144026.db2.gz MFVCXSJFIFGLQU-UHFFFAOYSA-N 1 0 363.505 4.372 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)C(c2cccnc2)C1C(=O)OC(C)C ZINC000100030632 222233575 /nfs/dbraw/zinc/23/35/75/222233575.db2.gz OPOVKZABKQBLKA-BDBAMQCISA-N 1 0 358.438 4.060 1 0 FIAFRO Oc1ccc(C[NH2+][C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000103228717 222326116 /nfs/dbraw/zinc/32/61/16/222326116.db2.gz FVTVZPSASHCSPZ-GGAORHGYSA-N 1 0 359.469 4.471 1 0 FIAFRO C[NH+]1CCC(N2CCCc3cc(NC(=N)c4cccs4)ccc32)CC1 ZINC000073196640 536339924 /nfs/dbraw/zinc/33/99/24/536339924.db2.gz UPFINYNLANEWRJ-UHFFFAOYSA-N 1 0 354.523 4.032 1 0 FIAFRO COCOc1cccc(C[N@@H+]2CC[C@@](C)(Oc3ccc(SC)cc3)C2)c1 ZINC000061904281 212027030 /nfs/dbraw/zinc/02/70/30/212027030.db2.gz CQOIQQFMIULGFE-OAQYLSRUSA-N 1 0 373.518 4.435 3 0 FIAFRO COc1cccc(C[N@@H+]2CC[C@@](C)(Oc3cccc(Cl)c3)C2)c1OC ZINC000061904533 212026576 /nfs/dbraw/zinc/02/65/76/212026576.db2.gz AMWICKZQVIOVFN-HXUWFJFHSA-N 1 0 361.869 4.401 3 0 FIAFRO CC(C)[C@H]([NH3+])c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000061906917 212026426 /nfs/dbraw/zinc/02/64/26/212026426.db2.gz XUOBSTOOBIMRES-LBPRGKRZSA-N 1 0 358.389 4.462 3 0 FIAFRO CSc1ccc(O[C@]2(C)CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000061905088 212026056 /nfs/dbraw/zinc/02/60/56/212026056.db2.gz JKXSUYVRWMYMPC-OAQYLSRUSA-N 1 0 371.502 4.223 3 0 FIAFRO CC[C@@H](CC(=O)NCCC(C)(C)C)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000058581656 212011597 /nfs/dbraw/zinc/01/15/97/212011597.db2.gz ZOKNKPRORGNRMQ-ZDUSSCGKSA-N 1 0 350.894 4.166 1 0 FIAFRO O=C(NCC1CC[NH2+]CC1)c1ccccc1-c1cc(Cl)ccc1Cl ZINC000049036734 211882621 /nfs/dbraw/zinc/88/26/21/211882621.db2.gz KSSMMJFYNXZNDL-UHFFFAOYSA-N 1 0 363.288 4.390 1 0 FIAFRO CO[C@](C(=O)OCC[C@@H]1CCC[N@@H+]1C)(c1ccccc1)C1CCCCC1 ZINC000045167495 211811116 /nfs/dbraw/zinc/81/11/16/211811116.db2.gz BUABEPGVYMMDKB-RBBKRZOGSA-N 1 0 359.510 4.136 1 0 FIAFRO CC1=CC2=[NH+]C[C@H](C(=O)c3ccc(OCc4ccccc4)cc3)CN2C=C1 ZINC000043024095 211787578 /nfs/dbraw/zinc/78/75/78/211787578.db2.gz USLJJFFTGASJIV-FQEVSTJZSA-N 1 0 358.441 4.252 1 0 FIAFRO O[C@H]1Cc2ccccc2C[C@@H]1[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000027726595 211471840 /nfs/dbraw/zinc/47/18/40/211471840.db2.gz DTPJSBNVZVXLPQ-DQEYMECFSA-N 1 0 357.497 4.327 1 0 FIAFRO CCC[C@H]1CNC(=O)C12CC[NH+](C1(c3ccccc3)CCCCC1)CC2 ZINC000013982660 211065977 /nfs/dbraw/zinc/06/59/77/211065977.db2.gz XNZWDRHJBZFXLY-FQEVSTJZSA-N 1 0 354.538 4.474 1 0 FIAFRO C[NH2+]CC[C@@H](Oc1ccc(I)cc1)c1ccccc1 ZINC000013730756 211053230 /nfs/dbraw/zinc/05/32/30/211053230.db2.gz BAEJWAJUFOTUFW-MRXNPFEDSA-N 1 0 367.230 4.021 1 0 FIAFRO O[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)C[C@H]1[NH2+]Cc1ccccc1 ZINC000013648565 211045898 /nfs/dbraw/zinc/04/58/98/211045898.db2.gz KVFPFYVUWUNGRU-SMIHKQSGSA-N 1 0 373.496 4.127 1 0 FIAFRO O=C(NCC[C@H]1C[NH+]=C(c2ccccc2)c2ccccc2N1)c1ccccc1 ZINC000013525938 211037565 /nfs/dbraw/zinc/03/75/65/211037565.db2.gz YDJIOVNVJAFPLG-FQEVSTJZSA-N 1 0 369.468 4.138 1 0 FIAFRO Oc1ccc([C@H]2[NH+]=CN[C@H]2c2c(Cl)cc(O)cc2Cl)c(Cl)c1 ZINC000013558455 211038714 /nfs/dbraw/zinc/03/87/14/211038714.db2.gz ZGYGDLBCSDNAFX-CABCVRRESA-N 1 0 357.624 4.472 1 0 FIAFRO Cc1c(F)c(Oc2cccc(N)c2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F ZINC000013474012 211036055 /nfs/dbraw/zinc/03/60/55/211036055.db2.gz OGLUIQADIHCVKD-UHFFFAOYSA-N 1 0 370.359 4.119 1 0 FIAFRO O=C1C[C@H](C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)Cc2occc21 ZINC000013471704 211034441 /nfs/dbraw/zinc/03/44/41/211034441.db2.gz RJXYBXCQVVCCAR-ZDUSSCGKSA-N 1 0 368.408 4.185 1 0 FIAFRO CCC[N@H+](CCc1ccc(OC)cc1)C1Cc2cc(OC)c(OC)cc2C1 ZINC000013471430 211034234 /nfs/dbraw/zinc/03/42/34/211034234.db2.gz LVJNVXHDJDZJGN-UHFFFAOYSA-N 1 0 369.505 4.134 1 0 FIAFRO CC[NH+](CC)CCCN1CCc2c3ccccc3[nH]c2[C@H]1c1cccnc1 ZINC000001622989 210362653 /nfs/dbraw/zinc/36/26/53/210362653.db2.gz IGEVBTTXDGYSKM-HSZRJFAPSA-N 1 0 362.521 4.242 1 0 FIAFRO O=C1c2ccccc2-c2ncc(OCC[NH+]3CCCCC3)c3cccc1c32 ZINC000071342048 221344853 /nfs/dbraw/zinc/34/48/53/221344853.db2.gz HODFYJBDWOPUQK-UHFFFAOYSA-N 1 0 358.441 4.311 1 0 FIAFRO CC1=[NH+]c2ccc(Cl)cc2[C@H](c2ccccc2)N1CCNC(=O)C1CC1 ZINC000072124837 221410220 /nfs/dbraw/zinc/41/02/20/221410220.db2.gz JEPSINGWMWRNJJ-FQEVSTJZSA-N 1 0 367.880 4.321 1 0 FIAFRO CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2cc(C)ccc2F)C1 ZINC000096917475 222138576 /nfs/dbraw/zinc/13/85/76/222138576.db2.gz BKECJXJJFJOWGK-UHFFFAOYSA-N 1 0 358.461 4.086 1 0 FIAFRO CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2c(C)cccc2C)C1 ZINC000096917467 222139201 /nfs/dbraw/zinc/13/92/01/222139201.db2.gz WMXSXVZGYVICMH-UHFFFAOYSA-N 1 0 354.498 4.256 1 0 FIAFRO Cc1ccc(C(=O)O[C@H]2[C@@H](C)Nc3ccccc3[C@H]2[NH+]2CCCC2)cc1 ZINC000096941846 222145089 /nfs/dbraw/zinc/14/50/89/222145089.db2.gz XOERYRDAIBYLLQ-HBGVWJBISA-N 1 0 350.462 4.172 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)C(c2ccccn2)C1C(=O)OC(C)C ZINC000100030627 222233493 /nfs/dbraw/zinc/23/34/93/222233493.db2.gz BWBPYGDKCWMPGL-CQGUWYRNSA-N 1 0 358.438 4.060 1 0 FIAFRO O[C@H]1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)[NH+]2CCC1CC2 ZINC000102429982 222296035 /nfs/dbraw/zinc/29/60/35/222296035.db2.gz LPXUPIFUOZFOIK-ZWULCIMOSA-N 1 0 362.448 4.256 1 0 FIAFRO C[C@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc3ccccc3s1)[NH2+]2 ZINC000005275008 570678022 /nfs/dbraw/zinc/67/80/22/570678022.db2.gz BAGPJGSPOHTGMQ-FEUHOPSXSA-N 1 0 355.385 4.159 2 0 FIAFRO Cc1ccc(CC2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000028523954 581092244 /nfs/dbraw/zinc/09/22/44/581092244.db2.gz RQYDSTZWRPNKSZ-UHFFFAOYSA-N 1 0 369.480 4.167 1 0 FIAFRO Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH+](CCc2ccccc2)CC1 ZINC000000592274 210249727 /nfs/dbraw/zinc/24/97/27/210249727.db2.gz GIYXEZZPINFSPU-UHFFFAOYSA-N 1 0 361.489 4.031 1 0 FIAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000001655391 210227522 /nfs/dbraw/zinc/22/75/22/210227522.db2.gz PSQWUJYJGGAOTN-RTBURBONSA-N 1 0 350.506 4.111 1 0 FIAFRO Cc1ccc(-c2nc(CN(Cc3c(C)nn(C)c3C)C(C)C)c(C)o2)o1 ZINC000011874044 210101589 /nfs/dbraw/zinc/10/15/89/210101589.db2.gz LOJSURQQIVTLNL-UHFFFAOYSA-N 1 0 356.470 4.312 3 0 FIAFRO CC[C@H](C)[C@H]1CNC(=S)N1CC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000061936135 212028237 /nfs/dbraw/zinc/02/82/37/212028237.db2.gz FLRXQUJVYCTVIT-PAQOUXTFSA-N 1 0 365.631 4.130 3 0 FIAFRO CCCNC(=O)[C@@]1(C)CCC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000061926346 212028279 /nfs/dbraw/zinc/02/82/79/212028279.db2.gz HVHQVUDECGUALK-QHCPKHFHSA-N 1 0 350.506 4.482 3 0 FIAFRO COc1ccc(NC(=O)Nc2nc([C@@H]([NH3+])C3CCCCC3)cs2)cc1 ZINC000061902244 212026863 /nfs/dbraw/zinc/02/68/63/212026863.db2.gz RTOADZFGZVEFHB-INIZCTEOSA-N 1 0 360.483 4.376 3 0 FIAFRO CCOC(=O)C1(CCOC)CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000061688091 212025790 /nfs/dbraw/zinc/02/57/90/212025790.db2.gz ZYVCEKUKNJVVKD-UHFFFAOYSA-N 1 0 361.507 4.083 3 0 FIAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1 ZINC000059262430 212014984 /nfs/dbraw/zinc/01/49/84/212014984.db2.gz ZETKRQDDYKMOPO-QFBILLFUSA-N 1 0 369.553 4.370 1 0 FIAFRO O=c1[nH]c([C@@H]2CC[C@@H]([NH+]3CCC(c4ccccc4)CC3)C2)nc2ccccc21 ZINC000028898944 211501399 /nfs/dbraw/zinc/50/13/99/211501399.db2.gz LJIFLONRFXAXBZ-WOJBJXKFSA-N 1 0 373.500 4.439 1 0 FIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC000013761390 211058069 /nfs/dbraw/zinc/05/80/69/211058069.db2.gz MHXINXPTKUQZKP-KRWDZBQOSA-N 1 0 353.462 4.018 1 0 FIAFRO C[N@@H+]1C[C@H](COC(=O)C2CCCCC2)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000013793941 211059926 /nfs/dbraw/zinc/05/99/26/211059926.db2.gz NHINDOWVGVTFBF-QVKFZJNVSA-N 1 0 364.489 4.161 1 0 in-vitro FIAFRO C[NH2+]CC[C@H](Oc1ccccc1I)c1ccccc1 ZINC000013730747 211054113 /nfs/dbraw/zinc/05/41/13/211054113.db2.gz SVWCZHHSRIZTQG-HNNXBMFYSA-N 1 0 367.230 4.021 1 0 FIAFRO COc1ccc2c(c1)CC[C@H](C1CC[NH+](CCc3ccccc3)CC1)C2=O ZINC000013734330 211055997 /nfs/dbraw/zinc/05/59/97/211055997.db2.gz NEEHDVAXWHGCFS-JOCHJYFZSA-N 1 0 363.501 4.395 1 0 FIAFRO CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C)c4cc(O)ccc4C[C@H]2[C@H]3C)cc1 ZINC000013740364 211055367 /nfs/dbraw/zinc/05/53/67/211055367.db2.gz JWXPPVJRCLFJOJ-QABPDZFRSA-N 1 0 364.489 4.075 1 0 FIAFRO COc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000013684826 211048614 /nfs/dbraw/zinc/04/86/14/211048614.db2.gz NYPNVOJFYPOGKC-SFHVURJKSA-N 1 0 361.873 4.163 1 0 FIAFRO COc1cccc(C(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)c1C ZINC000013684673 211048405 /nfs/dbraw/zinc/04/84/05/211048405.db2.gz GPINFPMRDYFGDG-GOSISDBHSA-N 1 0 360.885 4.080 1 0 FIAFRO FC(F)(F)c1nc2c(ccc3c2O[C@H](C[NH2+]Cc2ccccc2)CC3)[nH]1 ZINC000013586899 211040495 /nfs/dbraw/zinc/04/04/95/211040495.db2.gz JFFIIIVILGKQSZ-AWEZNQCLSA-N 1 0 361.367 4.065 1 0 FIAFRO O=C1Cc2ccccc2N1C1CC[NH+]([C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000013561286 211038967 /nfs/dbraw/zinc/03/89/67/211038967.db2.gz UXEWRPZUKRZGHB-RBDMOPTHSA-N 1 0 352.522 4.399 1 0 FIAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1C[N@H+]1CC=CCC1 ZINC000013449225 211033888 /nfs/dbraw/zinc/03/38/88/211033888.db2.gz ADAPJJJJIQWICU-INIZCTEOSA-N 1 0 367.320 4.179 1 0 FIAFRO C[NH+](C)C[C@H]1C[C@@H]2c3c(cccc3C(F)(F)F)Cc3ccccc3N2O1 ZINC000013437124 211033572 /nfs/dbraw/zinc/03/35/72/211033572.db2.gz ZNWOCPPAOLYORT-CRAIPNDOSA-N 1 0 362.395 4.423 1 0 FIAFRO FC(F)(F)c1cccc(Sc2ccc3c(c2)N2CC[NH2+]C[C@@H]2C3)c1 ZINC000071294594 221340623 /nfs/dbraw/zinc/34/06/23/221340623.db2.gz XYEDCHJYYOEJSU-AWEZNQCLSA-N 1 0 350.409 4.191 1 0 FIAFRO C1=C/C[NH2+]Cc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1 ZINC000082149221 221706727 /nfs/dbraw/zinc/70/67/27/221706727.db2.gz JEMMIJOETMAKME-OWOJBTEDSA-N 1 0 358.445 4.316 1 0 FIAFRO O=C(NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1)Nc1ccsc1 ZINC000095580149 221962685 /nfs/dbraw/zinc/96/26/85/221962685.db2.gz DGBJLEREWKGWML-UHFFFAOYSA-N 1 0 358.294 4.356 1 0 in-vitro FIAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1 ZINC000096929238 222142646 /nfs/dbraw/zinc/14/26/46/222142646.db2.gz YKWKDJKRPXBHQV-VQIMIIECSA-N 1 0 367.468 4.141 1 0 FIAFRO Clc1ccc([C@@H](C[NH2+]Cc2ccccc2)Cn2cncn2)c(Cl)c1 ZINC000103174843 222323598 /nfs/dbraw/zinc/32/35/98/222323598.db2.gz BJSDUMXLGOEJOO-HNNXBMFYSA-N 1 0 361.276 4.159 1 0 FIAFRO COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(SC(F)(F)F)cc1)[N@@H+]2C ZINC000169303860 222558900 /nfs/dbraw/zinc/55/89/00/222558900.db2.gz UVNCBAMPWZRVGM-RZFFKMDDSA-N 1 0 359.413 4.038 1 0 FIAFRO CN(C(=O)Cc1cccc2sccc21)[C@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000034185836 210170458 /nfs/dbraw/zinc/17/04/58/210170458.db2.gz SYHJZCCNQDFHJQ-RBUKOAKNSA-N 1 0 356.535 4.309 1 0 in-vitro FIAFRO C[C@H]1CC[C@H](C)[NH+]1CCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000013755518 211058421 /nfs/dbraw/zinc/05/84/21/211058421.db2.gz QTFOYIFTXHRBDC-OALUTQOASA-N 1 0 350.506 4.198 1 0 FIAFRO COc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccc(OC)cc2)cc1 ZINC000013737814 211056403 /nfs/dbraw/zinc/05/64/03/211056403.db2.gz UVTIKAPUYIWFDZ-QIDMFYOTSA-N 1 0 367.489 4.435 1 0 FIAFRO C[NH+](C)CCSc1nc2ccccc2c2c1CCOc1ccccc1-2 ZINC000013742143 211056277 /nfs/dbraw/zinc/05/62/77/211056277.db2.gz RBSAECWKODMNRM-UHFFFAOYSA-N 1 0 350.487 4.490 1 0 FIAFRO COc1cccc(C(=O)N[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)c1C ZINC000013684670 211049567 /nfs/dbraw/zinc/04/95/67/211049567.db2.gz GPINFPMRDYFGDG-SFHVURJKSA-N 1 0 360.885 4.080 1 0 FIAFRO C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)NCc2ccccc2)C1 ZINC000013579473 211041064 /nfs/dbraw/zinc/04/10/64/211041064.db2.gz JVZFUFCDIAOQJH-AZUAARDMSA-N 1 0 356.897 4.082 1 0 FIAFRO O=C1Cc2ccccc2N1C1CC[NH+]([C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000013561283 211039760 /nfs/dbraw/zinc/03/97/60/211039760.db2.gz IFUDRLSXETXJHT-OPYAIIAOSA-N 1 0 352.522 4.399 1 0 FIAFRO O=c1c(Nc2ccccc2)cccn1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000013488452 211036459 /nfs/dbraw/zinc/03/64/59/211036459.db2.gz JCLIAVBGZKSIAH-JOCHJYFZSA-N 1 0 359.473 4.277 1 0 FIAFRO Cn1c2ccc(CC[NH+]3CCC(Cc4ccccc4)CC3)cc2sc1=O ZINC000000836242 210278858 /nfs/dbraw/zinc/27/88/58/210278858.db2.gz PAQOLVFJAVGSLY-UHFFFAOYSA-N 1 0 366.530 4.097 1 0 FIAFRO O=C(NC[C@H]1CC[N@@H+]2CCC[C@@H]1C2)c1ccccc1-c1cccc(Cl)c1 ZINC000049052658 221017919 /nfs/dbraw/zinc/01/79/19/221017919.db2.gz OQWMGAPGZMIOTJ-QZTJIDSGSA-N 1 0 368.908 4.469 1 0 FIAFRO Cc1nc(C(=O)N2CCCC2)cc(-c2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000066102173 221241142 /nfs/dbraw/zinc/24/11/42/221241142.db2.gz NDYGAWNZKYHXHD-UHFFFAOYSA-N 1 0 364.276 4.059 1 0 FIAFRO Nc1cc[nH+]c(N2CCC3(CC2)O[C@@H](c2ccccc2)c2ccccc23)c1 ZINC000040949989 136120672 /nfs/dbraw/zinc/12/06/72/136120672.db2.gz NPAADSKMLSZJIV-QFIPXVFZSA-N 1 0 357.457 4.279 1 0 FIAFRO c1cc2c(cc1O[C@H]1CCSC1)CCC1(CC[NH+](C3CCC3)CC1)O2 ZINC000073222780 221562003 /nfs/dbraw/zinc/56/20/03/221562003.db2.gz NOCGMUFBVUCSBB-IBGZPJMESA-N 1 0 359.535 4.283 1 0 FIAFRO Clc1cccc(Nc2nc(Cc3ccccc3)nc3c2CC[NH2+]CC3)c1 ZINC000096271310 222107763 /nfs/dbraw/zinc/10/77/63/222107763.db2.gz RANUNRLHJXMVHG-UHFFFAOYSA-N 1 0 364.880 4.153 1 0 FIAFRO Cc1cc(NC(=O)c2cccs2)ccc1N1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000096922463 222140353 /nfs/dbraw/zinc/14/03/53/222140353.db2.gz QDYLERBISXXLCK-FUHWJXTLSA-N 1 0 369.534 4.372 1 0 FIAFRO c1ccc([C@]2(CC[NH2+]Cc3ccncc3)CCOC3(CCCC3)C2)nc1 ZINC000096940347 222144859 /nfs/dbraw/zinc/14/48/59/222144859.db2.gz JFQPNFSTVYDTOO-OAQYLSRUSA-N 1 0 351.494 4.018 1 0 FIAFRO COc1cccc([C@]2([NH+]3CCN(c4ccccc4)CC3)[C@@H]3C[C@@H](C)C[C@@H]32)c1 ZINC000101511248 536916322 /nfs/dbraw/zinc/91/63/22/536916322.db2.gz RTDVMDFFNLRZQE-BROAAPDQSA-N 1 0 362.517 4.389 1 0 FIAFRO CN(C(=O)Cc1cccc2sccc21)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000003779690 210229857 /nfs/dbraw/zinc/22/98/57/210229857.db2.gz SYHJZCCNQDFHJQ-OALUTQOASA-N 1 0 356.535 4.309 1 0 in-vitro FIAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000059276533 212015905 /nfs/dbraw/zinc/01/59/05/212015905.db2.gz FPNYXMREXNRRRR-CRAIPNDOSA-N 1 0 355.507 4.063 1 0 FIAFRO Cc1[nH+]c2c(NCc3c(C)cccc3C)cc(-n3ccc(=O)cc3)cn2c1C ZINC000040955005 211766018 /nfs/dbraw/zinc/76/60/18/211766018.db2.gz SUVHLBHXIPQGAC-UHFFFAOYSA-N 1 0 372.472 4.331 1 0 FIAFRO Cc1ccc(C[NH+]2CCC(Cn3c4ccccc4oc3=O)CC2)c(C)c1 ZINC000040409034 211743864 /nfs/dbraw/zinc/74/38/64/211743864.db2.gz BWTZBSANBASDDR-UHFFFAOYSA-N 1 0 350.462 4.124 1 0 FIAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc2cc(OC)ccc2n2cccc12 ZINC000026157852 211442716 /nfs/dbraw/zinc/44/27/16/211442716.db2.gz NMUNBENHFIVXAJ-INIZCTEOSA-N 1 0 354.498 4.419 1 0 FIAFRO O[C@@](C[NH+]1CCCC1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 ZINC000026844410 211455318 /nfs/dbraw/zinc/45/53/18/211455318.db2.gz FWXGGSLWJRYADG-HSZRJFAPSA-N 1 0 362.448 4.219 1 0 FIAFRO C[C@H]([NH2+]CCN(C)C)[C@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C ZINC000022950399 211371397 /nfs/dbraw/zinc/37/13/97/211371397.db2.gz OQLPSYJNZRYLOQ-YEOVSZKKSA-N 1 0 370.581 4.404 1 0 FIAFRO COc1cccc2c1CCC[C@@H]2CCN1CC[NH+](C2CCCCC2)CC1 ZINC000022931082 211371212 /nfs/dbraw/zinc/37/12/12/211371212.db2.gz SYWSXXBZIRUBHU-LJQANCHMSA-N 1 0 356.554 4.456 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000019597060 211239629 /nfs/dbraw/zinc/23/96/29/211239629.db2.gz HGABDBVYERTULD-WSTOHFRZSA-N 1 0 369.339 4.127 1 0 FIAFRO Cc1cccc(-c2nc(N)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000014948336 211106424 /nfs/dbraw/zinc/10/64/24/211106424.db2.gz BEVMVMIJAOGGEI-UHFFFAOYSA-N 1 0 359.260 4.467 1 0 FIAFRO COc1ccc(C(=O)c2c(C)n(C[C@H]3CCC[N@@H+]3C)c3ccccc32)cc1 ZINC000013781963 211059543 /nfs/dbraw/zinc/05/95/43/211059543.db2.gz ZSUIOMKJDWYWBQ-GOSISDBHSA-N 1 0 362.473 4.284 1 0 FIAFRO CCCCC[C@@H](C)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000013740711 211055795 /nfs/dbraw/zinc/05/57/95/211055795.db2.gz HTJZHVCGODLWLI-QLVMHMETSA-N 1 0 365.521 4.123 1 0 FIAFRO O=C(/C=C/c1ccccc1)NCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000013679930 211049468 /nfs/dbraw/zinc/04/94/68/211049468.db2.gz QITHKMFBAHBZTH-VAWYXSNFSA-N 1 0 374.528 4.186 1 0 FIAFRO O[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000013648544 211046386 /nfs/dbraw/zinc/04/63/86/211046386.db2.gz KVFPFYVUWUNGRU-KMDXXIMOSA-N 1 0 373.496 4.127 1 0 FIAFRO C[NH+](C)CCCc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1CCCC2 ZINC000013588474 211041152 /nfs/dbraw/zinc/04/11/52/211041152.db2.gz KAYBBGOKUMYLEP-AQTBWJFISA-N 1 0 367.468 4.020 1 0 FIAFRO O=C(NCC[C@@H]1C[NH+]=C(c2ccccc2)c2ccccc2N1)c1ccccc1 ZINC000013525935 211038160 /nfs/dbraw/zinc/03/81/60/211038160.db2.gz YDJIOVNVJAFPLG-HXUWFJFHSA-N 1 0 369.468 4.138 1 0 FIAFRO COc1ccc(Cl)cc1-c1cc(Cl)cc2c1N1CC[NH2+]CC[C@@H]1C2 ZINC000013535542 211037091 /nfs/dbraw/zinc/03/70/91/211037091.db2.gz USHJYIMZTIQJAK-OAHLLOKOSA-N 1 0 363.288 4.393 1 0 FIAFRO CC1CC[NH+](CCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000013531207 211038252 /nfs/dbraw/zinc/03/82/52/211038252.db2.gz PFTTWXTWFHVTMR-UHFFFAOYSA-N 1 0 372.534 4.251 1 0 FIAFRO Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1CC[NH2+]C1 ZINC000013443165 211034222 /nfs/dbraw/zinc/03/42/22/211034222.db2.gz HREICXYSTRPUKL-INIZCTEOSA-N 1 0 371.444 4.007 1 0 FIAFRO c1ccc2c(c1)[nH]c1c2CCN(CCC[NH+]2CCCCC2)[C@@H]1c1cccnc1 ZINC000001622990 210362465 /nfs/dbraw/zinc/36/24/65/210362465.db2.gz FOJAESRSRCGLSK-XMMPIXPASA-N 1 0 374.532 4.386 1 0 FIAFRO FC(F)(F)c1ccccc1Sc1ccc2c(c1)N1CC[NH2+]C[C@@H]1C2 ZINC000071294255 221340047 /nfs/dbraw/zinc/34/00/47/221340047.db2.gz UKYFWIJBZBSYQT-ZDUSSCGKSA-N 1 0 350.409 4.191 1 0 FIAFRO C[NH+]1CCN(c2ccc(C3CC3)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000095588153 136151092 /nfs/dbraw/zinc/15/10/92/136151092.db2.gz VBVCNJXTZLDSHA-UHFFFAOYSA-N 1 0 369.896 4.222 1 0 FIAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 ZINC000096929236 222142106 /nfs/dbraw/zinc/14/21/06/222142106.db2.gz KKKDKPNLCGIUKS-IIBYNOLFSA-N 1 0 367.468 4.141 1 0 FIAFRO [NH3+]CCN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000101061044 222260768 /nfs/dbraw/zinc/26/07/68/222260768.db2.gz HKONLYZKJHOXAP-AERCQKQUSA-N 1 0 372.459 4.025 1 0 FIAFRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1-c1cccc(Cl)c1 ZINC000101637385 222279280 /nfs/dbraw/zinc/27/92/80/222279280.db2.gz LAMLYPBPRQOOOH-GBEXYDAJSA-N 1 0 354.881 4.267 1 0 FIAFRO C[C@@H](C[18F])OC(=O)[C@H]1[C@@H]2CC[C@@H](C[N@@H+]2C)C[C@@H]1c1ccc(Cl)cc1 ZINC000169292640 222557432 /nfs/dbraw/zinc/55/74/32/222557432.db2.gz ZSLWUVZDXDAKIP-VNSGRDOFSA-N 1 0 352.868 4.055 1 0 FIAFRO c1ccc(Cc2ccc(OC[C@@H]3CN(Cc4ccccc4)CC[NH2+]3)cc2)cc1 ZINC000049089064 581091956 /nfs/dbraw/zinc/09/19/56/581091956.db2.gz POXGQRTZXDIFDA-DEOSSOPVSA-N 1 0 372.512 4.130 1 0 FIAFRO CCN(C(=O)c1cc(C)cc(OC[C@H](C)Nc2cc[nH+]cc2)c1)C(C)C ZINC000000602556 210251573 /nfs/dbraw/zinc/25/15/73/210251573.db2.gz JMPSZYHYDMQFEO-KRWDZBQOSA-N 1 0 355.482 4.140 1 0 in-vivo FIAFRO FC(F)(F)Oc1ccccc1O[C@@H](c1cccnc1)C1CC[NH2+]CC1 ZINC000043076913 211786268 /nfs/dbraw/zinc/78/62/68/211786268.db2.gz PUMRLCALOZDUIE-QGZVFWFLSA-N 1 0 352.356 4.100 1 0 FIAFRO O=C1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C(N1)[C@@H](c1ccccc1)C2 ZINC000040753123 211756850 /nfs/dbraw/zinc/75/68/50/211756850.db2.gz JQAFGLIAXMGYMK-WXYTXABISA-N 1 0 360.501 4.071 1 0 FIAFRO Cc1c(F)c(NC2CCCCC2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F ZINC000029489604 211514018 /nfs/dbraw/zinc/51/40/18/211514018.db2.gz CRLDQPGUVSIDBC-UHFFFAOYSA-N 1 0 360.408 4.489 1 0 FIAFRO Cn1cnc2cc(Br)c(-c3ccccc3Cl)c(C[NH3+])c21 ZINC000029125246 211506963 /nfs/dbraw/zinc/50/69/63/211506963.db2.gz YGNUEAITIVOBRQ-UHFFFAOYSA-N 1 0 350.647 4.115 1 0 FIAFRO O=C(NCCC[NH2+]Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000028396190 211488051 /nfs/dbraw/zinc/48/80/51/211488051.db2.gz JBKKFANVVKLHOG-UHFFFAOYSA-N 1 0 351.372 4.007 1 0 FIAFRO C[C@@H](C[N@@H+]1CC[C@@]2(C)C[C@@H]1Cc1c(O)cccc12)OCc1ccccc1 ZINC000027207124 211460099 /nfs/dbraw/zinc/46/00/99/211460099.db2.gz OQHMIQWXKSUMDL-LTMIRXACSA-N 1 0 351.490 4.276 1 0 FIAFRO CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000026838027 211454104 /nfs/dbraw/zinc/45/41/04/211454104.db2.gz KILKAFDVKRZHIX-FCHUYYIVSA-N 1 0 350.506 4.248 1 0 FIAFRO CC[NH+](CC)CCS[C@@H]1c2cccnc2COc2ccc(OC)cc21 ZINC000026835856 211453089 /nfs/dbraw/zinc/45/30/89/211453089.db2.gz BIQHUFBBLXLCOC-HXUWFJFHSA-N 1 0 358.507 4.147 1 0 FIAFRO CC[NH+](CC)C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013861039 211063421 /nfs/dbraw/zinc/06/34/21/211063421.db2.gz ZSNPTGYVRMEOHR-HNNXBMFYSA-N 1 0 357.325 4.259 1 0 FIAFRO COc1cccc2c1CCC[C@@H]2C[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC000013761389 211057564 /nfs/dbraw/zinc/05/75/64/211057564.db2.gz MHXINXPTKUQZKP-QGZVFWFLSA-N 1 0 353.462 4.018 1 0 FIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2c(c1)NCC2 ZINC000013761434 211058840 /nfs/dbraw/zinc/05/88/40/211058840.db2.gz URYRUDNJLKRQKI-IBGZPJMESA-N 1 0 350.506 4.258 1 0 FIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2ocnc2c1 ZINC000013761439 211058528 /nfs/dbraw/zinc/05/85/28/211058528.db2.gz HXRQZCLRSJMHTR-KRWDZBQOSA-N 1 0 350.462 4.431 1 0 FIAFRO CO[C@@H]1C[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1[N@@H+]2C ZINC000013643534 211045812 /nfs/dbraw/zinc/04/58/12/211045812.db2.gz DRRFJWRBSWXNFW-UWHLTILDSA-N 1 0 373.443 4.321 1 0 FIAFRO Cc1ccc(C2=CC[N@H+](CCCc3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000013581590 211041010 /nfs/dbraw/zinc/04/10/10/211041010.db2.gz IJDSWKBMRAAJPU-UHFFFAOYSA-N 1 0 359.473 4.366 1 0 FIAFRO Cc1c(F)c(Oc2cccc(O)c2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F ZINC000013474027 211035164 /nfs/dbraw/zinc/03/51/64/211035164.db2.gz GGQDWVMIRHYMNR-UHFFFAOYSA-N 1 0 371.343 4.242 1 0 FIAFRO Cn1c2ccccc2c2c1CC[N@@H+](CCC[C@@H](O)c1ccc(F)cc1)C2 ZINC000013476819 211035240 /nfs/dbraw/zinc/03/52/40/211035240.db2.gz ARHHDTLXUBIQJK-JOCHJYFZSA-N 1 0 352.453 4.189 1 0 FIAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000013449222 211034478 /nfs/dbraw/zinc/03/44/78/211034478.db2.gz PZKHOISBMZGAFR-INIZCTEOSA-N 1 0 369.336 4.403 1 0 FIAFRO C[NH+](C)C[C@H]1C[C@@H]2c3cc(C(F)(F)F)ccc3Cc3ccccc3N2O1 ZINC000013437250 211033762 /nfs/dbraw/zinc/03/37/62/211033762.db2.gz WPLHYZJLPBROHU-VQIMIIECSA-N 1 0 362.395 4.423 1 0 FIAFRO [NH3+]Cc1cocc1N(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000066103200 221241096 /nfs/dbraw/zinc/24/10/96/221241096.db2.gz ZYRYBBGMNLVUJU-IBGZPJMESA-N 1 0 373.460 4.094 1 0 FIAFRO CCC(=O)C[C@@H]1c2ccccc2[NH+]=C(n2ccnc2)N1c1ccc(F)cc1 ZINC000103176606 132236855 /nfs/dbraw/zinc/23/68/55/132236855.db2.gz KMIYBIZAONFAOE-HXUWFJFHSA-N 1 0 362.408 4.489 1 0 FIAFRO Fc1ccc(-c2cccc(N3CCC([NH2+]C[C@H]4CCCO4)CC3)c2)cc1 ZINC000019836084 132892832 /nfs/dbraw/zinc/89/28/32/132892832.db2.gz HQDXBWPPUNFIQI-JOCHJYFZSA-N 1 0 354.469 4.230 1 0 FIAFRO Cc1cccc(N2CCN(Cc3coc(-c4ccc(O)cc4)n3)C[C@@H]2C)c1 ZINC000072183944 136143838 /nfs/dbraw/zinc/14/38/38/136143838.db2.gz FGRZEGSXAJTYQX-KRWDZBQOSA-N 1 0 363.461 4.066 1 0 FIAFRO CC[NH+](CC)CCNc1nc2c(-c3ccccc3)cnn2c2ccccc21 ZINC000096933150 222142554 /nfs/dbraw/zinc/14/25/54/222142554.db2.gz ZIQRBVHMERAOTA-UHFFFAOYSA-N 1 0 359.477 4.303 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(C(F)(F)F)cc2)C1C(=O)OC ZINC000100018885 222231435 /nfs/dbraw/zinc/23/14/35/222231435.db2.gz HSFKHBCFEZQMJN-XERWBJCMSA-N 1 0 369.339 4.127 1 0 FIAFRO C[C@@H](C[18F])OC(=O)[C@@H]1[C@@H]2CC[C@@H](C[N@@H+]2C)C[C@@H]1c1ccc(Cl)cc1 ZINC000103184951 222323630 /nfs/dbraw/zinc/32/36/30/222323630.db2.gz ZSLWUVZDXDAKIP-RFQRYJGXSA-N 1 0 352.868 4.055 1 0 FIAFRO CCCCC[NH2+]Cc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1 ZINC000066058767 535076653 /nfs/dbraw/zinc/07/66/53/535076653.db2.gz JTQATWGVTYJOFY-UHFFFAOYSA-N 1 0 351.494 4.150 1 0 FIAFRO CN1CC[NH+](CCCCOc2ccccc2/C=C/c2ccccc2)CC1 ZINC000027728892 210244251 /nfs/dbraw/zinc/24/42/51/210244251.db2.gz HAKLQTHHIPSGRP-BUHFOSPRSA-N 1 0 350.506 4.263 1 0 FIAFRO CCOC(=O)C1(c2ccccc2)CC[NH+](CCCc2ccccc2)CC1 ZINC000095563023 210235682 /nfs/dbraw/zinc/23/56/82/210235682.db2.gz JIUNTGIKLXHBHH-UHFFFAOYSA-N 1 0 351.490 4.216 1 0 FIAFRO Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccncc3)c2cc1Cl ZINC000003639588 210228753 /nfs/dbraw/zinc/22/87/53/210228753.db2.gz BORHXPPYEHZCOI-UHFFFAOYSA-N 1 0 361.276 4.253 1 0 FIAFRO COc1ccc(C2=C(c3ccc(O)cc3)C[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000014696006 210181079 /nfs/dbraw/zinc/18/10/79/210181079.db2.gz JOMCLUGDXHCAGV-QGZVFWFLSA-N 1 0 351.446 4.188 1 0 FIAFRO CCCNC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000061907729 212026772 /nfs/dbraw/zinc/02/67/72/212026772.db2.gz DVYGGEJYRWKRAJ-QHCPKHFHSA-N 1 0 350.506 4.482 3 0 FIAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC000029569041 211515007 /nfs/dbraw/zinc/51/50/07/211515007.db2.gz DWBUNZMQQLCLIM-ALOPSCKCSA-N 1 0 351.450 4.226 1 0 FIAFRO CC(C)[NH2+][C@H](C)[C@@H](O)COc1ccccc1-c1nc2ccccc2s1 ZINC000028766537 211497246 /nfs/dbraw/zinc/49/72/46/211497246.db2.gz XLWHOSCPYSMBHS-PBHICJAKSA-N 1 0 356.491 4.090 1 0 FIAFRO CO[C@@H]1C[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]1[N@@H+]2C ZINC000028476189 211490600 /nfs/dbraw/zinc/49/06/00/211490600.db2.gz DRRFJWRBSWXNFW-IVAOSVALSA-N 1 0 373.443 4.321 1 0 FIAFRO CC(=O)N1c2ccccc2S[C@@H]1c1cccc(OCCC[NH+](C)C)c1 ZINC000028007699 211476856 /nfs/dbraw/zinc/47/68/56/211476856.db2.gz GJGGSGGUTSCLPQ-HXUWFJFHSA-N 1 0 356.491 4.175 1 0 FIAFRO C[C@@H]([NH2+]CCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C ZINC000022950396 211370835 /nfs/dbraw/zinc/37/08/35/211370835.db2.gz OQLPSYJNZRYLOQ-APYVTPOUSA-N 1 0 370.581 4.404 1 0 FIAFRO COc1ccccc1C[NH2+][C@H]1C2CCN(CC2)[C@H]1c1cccc(Cl)c1 ZINC000022851832 211364409 /nfs/dbraw/zinc/36/44/09/211364409.db2.gz LAUJLFDPPWBXRV-SFTDATJTSA-N 1 0 356.897 4.274 1 0 FIAFRO COc1cccc2c1[C@@H](C[N@H+](C)CCc1ccc3c(c1)OCO3)CCC2 ZINC000013761396 211057476 /nfs/dbraw/zinc/05/74/76/211057476.db2.gz JQJYDTHCKSSCEW-GOSISDBHSA-N 1 0 353.462 4.018 1 0 FIAFRO CC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 ZINC000013818070 211062170 /nfs/dbraw/zinc/06/21/70/211062170.db2.gz RESFYLPQQBQWLK-UHFFFAOYSA-N 1 0 356.467 4.041 1 0 FIAFRO CC(C)COc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1 ZINC000013731427 211053855 /nfs/dbraw/zinc/05/38/55/211053855.db2.gz SHSIEQXDSQPUEV-SJPCQFCGSA-N 1 0 368.477 4.052 1 0 FIAFRO COc1cccc(NC(=O)N[C@H](CC[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000013684881 211048220 /nfs/dbraw/zinc/04/82/20/211048220.db2.gz GKCBYQDOKZXTMJ-GOSISDBHSA-N 1 0 361.873 4.163 1 0 FIAFRO CSc1ccc(C[N@@H+]2CC[C@@](C)(c3cccc(C(N)=O)c3)[C@@H](C)C2)cc1 ZINC000013587981 211041486 /nfs/dbraw/zinc/04/14/86/211041486.db2.gz CRANKTQZFCMJPC-KSFYIVLOSA-N 1 0 368.546 4.307 1 0 FIAFRO C[C@H]1c2c3ccccc3[nH]c2[C@@H]2Oc3c4c(ccc3O)C[C@@H]3[C@H]1[C@@]42CC[N@@H+]3C ZINC000013586855 211041503 /nfs/dbraw/zinc/04/15/03/211041503.db2.gz BKKGVUYVPORNKS-MJXBJDOJSA-N 1 0 372.468 4.239 1 0 FIAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)[N@@H+]2Cc1ccccc1 ZINC000013652187 211045537 /nfs/dbraw/zinc/04/55/37/211045537.db2.gz AOTHPBKOMYVVMW-BQJUDKOJSA-N 1 0 353.437 4.135 1 0 FIAFRO O=C1Cc2ccccc2N1C1CC[NH+]([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000013561284 211039423 /nfs/dbraw/zinc/03/94/23/211039423.db2.gz IFUDRLSXETXJHT-WAOWUJCRSA-N 1 0 352.522 4.399 1 0 FIAFRO Cc1cc(Oc2ccc(C(N)=[NH2+])cc2)nc2cc(Br)ccc12 ZINC000013535232 211038455 /nfs/dbraw/zinc/03/84/55/211038455.db2.gz JEAROQGNASDEHL-UHFFFAOYSA-N 1 0 356.223 4.382 1 0 FIAFRO CO[C@@H]1Cc2ccccc2C2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000013472040 211035782 /nfs/dbraw/zinc/03/57/82/211035782.db2.gz IJKYJDDNDXAREJ-QFIPXVFZSA-N 1 0 351.490 4.156 1 0 FIAFRO C[NH+](C)C[C@@H]1C[C@H]2c3c(cccc3C(F)(F)F)Cc3ccccc3N2O1 ZINC000013437114 211033500 /nfs/dbraw/zinc/03/35/00/211033500.db2.gz ZNWOCPPAOLYORT-YJBOKZPZSA-N 1 0 362.395 4.423 1 0 FIAFRO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(C)C)c1 ZINC000004886503 210574274 /nfs/dbraw/zinc/57/42/74/210574274.db2.gz PVWFPVREPQVZNU-IHWFROFDSA-N 1 0 357.498 4.052 3 0 FIAFRO FC(F)(F)c1ccccc1-c1nc2ccccc2c(NC2CC[NH2+]CC2)n1 ZINC000004267072 210519629 /nfs/dbraw/zinc/51/96/29/210519629.db2.gz WEJYLKIJBJOTEQ-UHFFFAOYSA-N 1 0 372.394 4.480 1 0 FIAFRO Cc1[nH]c(/C=C2/c3ccccc3NC2=O)c(C)c1-c1ccc(NCC[NH3+])cc1 ZINC000071341085 221343681 /nfs/dbraw/zinc/34/36/81/221343681.db2.gz KGTDFHUECJWXBK-UYRXBGFRSA-N 1 0 372.472 4.162 1 0 FIAFRO C[C@H]1Oc2ccc(C[N@H+]3CC=C(c4ccc(Cl)cc4)CC3)cc2NC1=O ZINC000096274121 222108599 /nfs/dbraw/zinc/10/85/99/222108599.db2.gz UXKGKMDPTXLNNA-CQSZACIVSA-N 1 0 368.864 4.349 1 0 FIAFRO O[C@H](C[NH+]1CCCCC1)[C@@H]1Oc2ccccc2[C@@H]1CCc1ccccc1 ZINC000096902513 222136845 /nfs/dbraw/zinc/13/68/45/222136845.db2.gz WXYWDEZLAOBARR-QZNHQXDQSA-N 1 0 351.490 4.011 1 0 FIAFRO CCCc1cc(NCC(C)(C)[NH+](CC)CC)nnc1-c1ccccc1O ZINC000101239321 222266597 /nfs/dbraw/zinc/26/65/97/222266597.db2.gz OQGSFPZZJWUOST-UHFFFAOYSA-N 1 0 356.514 4.334 1 0 FIAFRO Cc1cc(C)c2nc(C(F)(F)F)cc([C@H](O)C[C@@H]3CCCC[NH2+]3)c2c1 ZINC000169334034 222563588 /nfs/dbraw/zinc/56/35/88/222563588.db2.gz KXGCWJQQFJMQKK-XJKSGUPXSA-N 1 0 352.400 4.436 1 0 FIAFRO OC1CC[NH+](CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1 ZINC000040829277 581099587 /nfs/dbraw/zinc/09/95/87/581099587.db2.gz HHJAPVOVRQGCFN-UHFFFAOYSA-N 1 0 354.475 4.088 1 0 FIAFRO O[C@H]1CCC[N@H+](CCCCOc2ccccc2/C=C/c2ccccc2)C1 ZINC000027714054 210242879 /nfs/dbraw/zinc/24/28/79/210242879.db2.gz QLOAZMJZUITTOX-FRFYRWIFSA-N 1 0 351.490 4.473 1 0 FIAFRO CC(C)=CCN1CC[NH+]([C@H](Cc2cccc(O)c2)c2ccccc2)CC1 ZINC000022590760 210235330 /nfs/dbraw/zinc/23/53/30/210235330.db2.gz WLHCNEPBQJOHKW-HSZRJFAPSA-N 1 0 350.506 4.260 1 0 FIAFRO COc1ccc2c(c1OC)Oc1c(OC)ccc(CC[NH+](C)C)c1C=C2 ZINC000014694867 210181034 /nfs/dbraw/zinc/18/10/34/210181034.db2.gz OKTZGJJABWSKMT-UHFFFAOYSA-N 1 0 355.434 4.093 1 0 FIAFRO COc1cc(C)cc2c(-c3ccc4c(c3)[C@](C)(O)[NH2+][C@H](C)C4)ccc(O)c12 ZINC000095486204 291081536 /nfs/dbraw/zinc/08/15/36/291081536.db2.gz JEHKHSWADGIQQX-FATZIPQQSA-N 1 0 363.457 4.229 1 0 biogenic,in-vitro FIAFRO CN(C)c1ccc(NC(=O)Nc2nc([C@@H]([NH3+])C3CCCCC3)cs2)cc1 ZINC000061929435 212028268 /nfs/dbraw/zinc/02/82/68/212028268.db2.gz MRSZWKRMGABGLT-KRWDZBQOSA-N 1 0 373.526 4.433 3 0 FIAFRO c1ccc(C2(C[N@H+]3CCNC[C@H]3Cc3cccc4ccccc43)CC2)cc1 ZINC000061711160 212024598 /nfs/dbraw/zinc/02/45/98/212024598.db2.gz IRMLBVGBZYXZNV-HSZRJFAPSA-N 1 0 356.513 4.388 3 0 FIAFRO CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000061906125 212026289 /nfs/dbraw/zinc/02/62/89/212026289.db2.gz QZFJAMOWNUNMME-GFCCVEGCSA-N 1 0 362.823 4.097 3 0 FIAFRO C[NH+](C)CC[C@]1(c2cccc(Br)c2)Cc2ccccc2C(=O)O1 ZINC000053229998 211915144 /nfs/dbraw/zinc/91/51/44/211915144.db2.gz CSVLCEPTAKAUNR-LJQANCHMSA-N 1 0 374.278 4.009 1 0 FIAFRO CC(C)[NH2+][C@@H](C)[C@@H](O)COc1ccccc1-c1nc2ccccc2s1 ZINC000028766535 211498366 /nfs/dbraw/zinc/49/83/66/211498366.db2.gz XLWHOSCPYSMBHS-YOEHRIQHSA-N 1 0 356.491 4.090 1 0 FIAFRO FC(F)(F)Oc1ccccc1CN[C@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000022442017 211350930 /nfs/dbraw/zinc/35/09/30/211350930.db2.gz UREZEIFIEYLVGN-WMZOPIPTSA-N 1 0 350.384 4.168 1 0 FIAFRO COc1cc(Cl)cc2c1Sc1ccccc1C[C@@H]2N1CC[NH2+]CC1 ZINC000022459557 211349665 /nfs/dbraw/zinc/34/96/65/211349665.db2.gz HXYCAICFUKZMTG-INIZCTEOSA-N 1 0 360.910 4.002 1 0 FIAFRO CC(C)(C)C1CCC([NH+]2CCC3(CC2)c2ccccc2CNC3=O)CC1 ZINC000014977312 211111857 /nfs/dbraw/zinc/11/18/57/211111857.db2.gz NKQWPIBQHVKIOM-UHFFFAOYSA-N 1 0 354.538 4.255 1 0 FIAFRO CCN(CC)C(=O)c1ccc(C(c2cccs2)=C2CC[NH2+]CC2)cc1 ZINC000013814346 211061593 /nfs/dbraw/zinc/06/15/93/211061593.db2.gz RVBUOUGRRSNQSV-UHFFFAOYSA-N 1 0 354.519 4.415 1 0 FIAFRO C[NH+](C)CCCNc1c2ccc(Cl)cc2[nH]c(=O)c1-c1ccccc1 ZINC000013761234 211058768 /nfs/dbraw/zinc/05/87/68/211058768.db2.gz FDUCGFFIAJHBIR-UHFFFAOYSA-N 1 0 355.869 4.212 1 0 FIAFRO CCC[C@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C[C@H]1CC(C)C ZINC000013745389 211055385 /nfs/dbraw/zinc/05/53/85/211055385.db2.gz IARHALMJEVDPDT-JUXOCIIHSA-N 1 0 361.526 4.200 1 0 FIAFRO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000013596170 211042968 /nfs/dbraw/zinc/04/29/68/211042968.db2.gz DMPRDLOPHVEHAX-AWEZNQCLSA-N 1 0 357.441 4.496 3 0 FIAFRO Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CC[N@@H+]1CC1CC1 ZINC000013560065 211039967 /nfs/dbraw/zinc/03/99/67/211039967.db2.gz OQGLRMIBYLADSW-RRMPHLOHSA-N 1 0 353.535 4.347 1 0 in-vivo FIAFRO COc1ccccc1-c1cccn([C@@H](C[NH+]2CCCC2)c2ccccc2)c1=O ZINC000013436617 211033508 /nfs/dbraw/zinc/03/35/08/211033508.db2.gz ARSREBXKSOCHHV-QFIPXVFZSA-N 1 0 374.484 4.209 1 0 FIAFRO C[NH+](C)CCCN1C(=O)/C(=C/c2ccccc2Cl)Oc2ccccc21 ZINC000169324444 132261546 /nfs/dbraw/zinc/26/15/46/132261546.db2.gz NNBJLVBJCAMQBA-RGEXLXHISA-N 1 0 356.853 4.058 1 0 FIAFRO Cc1cc2c(cc1OCCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000026501057 132377884 /nfs/dbraw/zinc/37/78/84/132377884.db2.gz RRRWYKSLGQJXIZ-UHFFFAOYSA-N 1 0 350.506 4.075 1 0 FIAFRO CC(C)([NH2+]C[C@H](O)Cn1c2ccccc2c2c1CCCC2)c1ccccc1 ZINC000073196116 221560937 /nfs/dbraw/zinc/56/09/37/221560937.db2.gz VTJOYWRIYLVMOK-IBGZPJMESA-N 1 0 362.517 4.406 1 0 FIAFRO C[C@@H]1Oc2cc(C[N@H+]3CC=C(c4ccc(Cl)cc4)CC3)ccc2NC1=O ZINC000096274152 222108917 /nfs/dbraw/zinc/10/89/17/222108917.db2.gz IOEFGYJFRPPBNM-AWEZNQCLSA-N 1 0 368.864 4.349 1 0 FIAFRO COc1ccc(Cl)cc1CCC(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1 ZINC000103237055 222327519 /nfs/dbraw/zinc/32/75/19/222327519.db2.gz RCUFBQVYNBKVJY-UHFFFAOYSA-N 1 0 369.852 4.359 1 0 FIAFRO O=c1c2ccc(OCC[NH+]3CCCCC3)cc2occ1-c1ccc(O)cc1 ZINC000103240648 222327990 /nfs/dbraw/zinc/32/79/90/222327990.db2.gz HWMDKCFNQUBLQC-UHFFFAOYSA-N 1 0 365.429 4.030 1 0 FIAFRO O=C([C@@H]1CC12CCC(C1CCCCC1)CC2)N1CC[NH+](C2CCC2)CC1 ZINC000103243027 222328004 /nfs/dbraw/zinc/32/80/04/222328004.db2.gz BGVWWNSHROUKKN-SWCONJRYSA-N 1 0 358.570 4.460 1 0 FIAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)n1cc(-c3ccccc3)c3ccccc31)C2 ZINC000000838089 219328939 /nfs/dbraw/zinc/32/89/39/219328939.db2.gz VWPSUDFXFCKZHR-YQQQUEKLSA-N 1 0 359.473 4.491 1 0 FIAFRO CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000006018054 219709932 /nfs/dbraw/zinc/70/99/32/219709932.db2.gz FYKYWEMMAMBGMQ-MSOLQXFVSA-N 1 0 369.336 4.401 1 0 FIAFRO CC(C)C[C@@H](CSc1ccccc1)N1CC[N@H+](CC(C)C)CCC1=O ZINC000012474402 220000704 /nfs/dbraw/zinc/00/07/04/220000704.db2.gz HFRYUMKLTMJXMI-IBGZPJMESA-N 1 0 362.583 4.384 3 0 FIAFRO CCCOc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000013557349 220073204 /nfs/dbraw/zinc/07/32/04/220073204.db2.gz GDCGIHOHEJXVRS-AZUAARDMSA-N 1 0 358.526 4.250 1 0 FIAFRO COc1ccc2c(c1)CCC[C@@H]2C[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC000013761391 220093132 /nfs/dbraw/zinc/09/31/32/220093132.db2.gz KPQSBSMTIXJNED-GOSISDBHSA-N 1 0 353.462 4.018 1 0 FIAFRO Cc1ccc([C@@H]2OC(=O)O[C@@]3(c4ccc(C)cc4)CC[N@@H+](C)C[C@@H]23)cc1 ZINC000013804581 220096012 /nfs/dbraw/zinc/09/60/12/220096012.db2.gz BGZGKVAVORWNIY-JAXLGGSGSA-N 1 0 351.446 4.359 1 0 FIAFRO C[NH+](C)CCNC(=O)c1cc(-c2ccccc2)c(N2CCCCCC2)s1 ZINC000020985735 220346625 /nfs/dbraw/zinc/34/66/25/220346625.db2.gz XMEGZQWZAIDTNM-UHFFFAOYSA-N 1 0 371.550 4.087 1 0 FIAFRO CO[C@H]1Cc2sccc2C2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000040957650 220926583 /nfs/dbraw/zinc/92/65/83/220926583.db2.gz IFOJZDCZRVEFLM-HXUWFJFHSA-N 1 0 357.519 4.217 1 0 FIAFRO COC(=O)C[C@H]1c2ccccc2[NH+]=C(N2CCCCC2)N1C1CCCCC1 ZINC000049871972 221027503 /nfs/dbraw/zinc/02/75/03/221027503.db2.gz OAFNDNLOUAXQMP-FQEVSTJZSA-N 1 0 369.509 4.413 1 0 FIAFRO O=C(NCC1CC[NH2+]CC1)c1ccccc1-c1cc(Cl)cc(Cl)c1 ZINC000049046912 221018319 /nfs/dbraw/zinc/01/83/19/221018319.db2.gz BUORIDJFPYBYLB-UHFFFAOYSA-N 1 0 363.288 4.390 1 0 FIAFRO CC(=O)C[C@@H]1Cc2sccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000053294231 221044647 /nfs/dbraw/zinc/04/46/47/221044647.db2.gz IRJBGBHTINPQGQ-GOSISDBHSA-N 1 0 355.503 4.160 1 0 FIAFRO [NH3+][C@@H](c1csc(Nc2ccc(C(F)(F)F)cn2)n1)c1ccccc1 ZINC000061927807 221136962 /nfs/dbraw/zinc/13/69/62/221136962.db2.gz KIHLIQOMTIAFCL-CQSZACIVSA-N 1 0 350.369 4.349 3 0 FIAFRO COCOc1cccc(C[N@@H+]2CC[C@](C)(Oc3ccc(SC)cc3)C2)c1 ZINC000061904280 221136529 /nfs/dbraw/zinc/13/65/29/221136529.db2.gz CQOIQQFMIULGFE-NRFANRHFSA-N 1 0 373.518 4.435 3 0 FIAFRO c1nc2cc(CC[NH+]3CCN(c4cccc5ccccc54)CC3)ccc2[nH]1 ZINC000038424857 136118771 /nfs/dbraw/zinc/11/87/71/136118771.db2.gz OTPPYWCIUOIPCN-UHFFFAOYSA-N 1 0 356.473 4.081 1 0 FIAFRO c1[nH]c2ccc(-c3cccnc3)cc2c1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC000073129651 136149804 /nfs/dbraw/zinc/14/98/04/136149804.db2.gz WEPFOMSXGUEDJU-UHFFFAOYSA-N 1 0 354.457 4.307 1 0 FIAFRO O=c1cc(C(F)(F)F)n(C/C=C/C[NH+]2CCCCC2)c2ccc(F)cc12 ZINC000096909950 222138047 /nfs/dbraw/zinc/13/80/47/222138047.db2.gz UAPXSGOOQINMCN-SNAWJCMRSA-N 1 0 368.374 4.202 1 0 FIAFRO Cc1n[nH]c2ccc(-c3cncc(OCC[C@@H]([NH3+])Cc4ccccc4)c3)cc12 ZINC000014957878 581091655 /nfs/dbraw/zinc/09/16/55/581091655.db2.gz DWJILNCVVDOHOU-HXUWFJFHSA-N 1 0 372.472 4.272 1 0 FIAFRO COc1ccc(-c2csc(-c3cc(C(N)=[NH2+])sc3C)n2)cc1OC ZINC000013437893 220067221 /nfs/dbraw/zinc/06/72/21/220067221.db2.gz LIWUUXYWSYYDIP-UHFFFAOYSA-N 1 0 359.476 4.148 1 0 FIAFRO O=C(Nc1nc2ccccc2n2cncc12)c1c(Cl)cccc1Cl ZINC000013441467 220067583 /nfs/dbraw/zinc/06/75/83/220067583.db2.gz HZHKHCJSNXPZKT-UHFFFAOYSA-N 1 0 357.200 4.442 1 0 FIAFRO CCOC(=O)C[C@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000013491916 220069348 /nfs/dbraw/zinc/06/93/48/220069348.db2.gz UGHBJNQFYIFUDZ-OAQYLSRUSA-N 1 0 365.473 4.202 1 0 FIAFRO CCCOc1ccccc1C(=O)N[C@H]1CCCC[C@H]1C[NH+]1CCCCC1 ZINC000013557350 220073394 /nfs/dbraw/zinc/07/33/94/220073394.db2.gz GDCGIHOHEJXVRS-ICSRJNTNSA-N 1 0 358.526 4.250 1 0 FIAFRO C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CC[C@@]1(C)c1cccc(C(N)=O)c1 ZINC000013587989 220077263 /nfs/dbraw/zinc/07/72/63/220077263.db2.gz SYACNGUASVLLLQ-BXKMTCNYSA-N 1 0 373.500 4.133 1 0 FIAFRO COc1ccc2c(c1)CC[C@@H](C1CC[NH+](CCc3ccccc3)CC1)C2=O ZINC000013734333 220091158 /nfs/dbraw/zinc/09/11/58/220091158.db2.gz NEEHDVAXWHGCFS-QFIPXVFZSA-N 1 0 363.501 4.395 1 0 FIAFRO C[C@@H]1CC[C@@H](C)[NH+]1CCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000013755515 220093682 /nfs/dbraw/zinc/09/36/82/220093682.db2.gz QTFOYIFTXHRBDC-RTBURBONSA-N 1 0 350.506 4.198 1 0 FIAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@H](COc1ccc3c(c1)OCO3)[C@@H](c1ccc(F)cc1)C2 ZINC000013776988 220094675 /nfs/dbraw/zinc/09/46/75/220094675.db2.gz CUWDCKZGAWYXEX-AFYVEPGGSA-N 1 0 369.436 4.200 1 0 FIAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[N@@H+]1CCc2ccccc2C1)CCC3 ZINC000013817848 220097308 /nfs/dbraw/zinc/09/73/08/220097308.db2.gz PUBJWCSGOQBHSX-XMMPIXPASA-N 1 0 360.501 4.441 1 0 FIAFRO CC1CC[NH+](CCCNC(=O)c2ccc3c(c2)ncn3C2CCCC2)CC1 ZINC000015879119 220171298 /nfs/dbraw/zinc/17/12/98/220171298.db2.gz MZNSCMJPMCPTTD-UHFFFAOYSA-N 1 0 368.525 4.003 3 0 FIAFRO CCc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3Cc1ccc(OC)c(OC)c1 ZINC000026674945 220517735 /nfs/dbraw/zinc/51/77/35/220517735.db2.gz YOHPOVHPYWXEQR-IBGZPJMESA-N 1 0 350.462 4.177 1 0 FIAFRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]C3CCCC3)cc12 ZINC000045303046 220969114 /nfs/dbraw/zinc/96/91/14/220969114.db2.gz VMMJYZNKARVQGU-UHFFFAOYSA-N 1 0 364.493 4.044 1 0 FIAFRO O=C(NCC1CC[NH2+]CC1)c1ccccc1-c1cccc(Cl)c1Cl ZINC000049034442 221017864 /nfs/dbraw/zinc/01/78/64/221017864.db2.gz UHWGQKZOAQFOIU-UHFFFAOYSA-N 1 0 363.288 4.390 1 0 FIAFRO CC(C)[C@@H]([NH3+])c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000061906918 221136724 /nfs/dbraw/zinc/13/67/24/221136724.db2.gz XUOBSTOOBIMRES-GFCCVEGCSA-N 1 0 358.389 4.462 3 0 FIAFRO Cn1c2ccccc2c(=O)cc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000066112302 221241340 /nfs/dbraw/zinc/24/13/40/221241340.db2.gz WCSOYFKIQXCDHS-UHFFFAOYSA-N 1 0 362.473 4.070 1 0 FIAFRO [NH3+]Cc1cocc1N(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000066251361 221242480 /nfs/dbraw/zinc/24/24/80/221242480.db2.gz ZYRYBBGMNLVUJU-LJQANCHMSA-N 1 0 373.460 4.094 1 0 FIAFRO FC(F)(F)c1ccc(Sc2ccc3c(c2)N2CC[NH2+]C[C@H]2C3)cc1 ZINC000071294806 221340754 /nfs/dbraw/zinc/34/07/54/221340754.db2.gz YPCWKTBFKHGTDP-CQSZACIVSA-N 1 0 350.409 4.191 1 0 FIAFRO CCC(=O)c1ccc2c(c1)sc(=O)n2CCCC[NH+]1CCCCCC1 ZINC000096916503 222139283 /nfs/dbraw/zinc/13/92/83/222139283.db2.gz DQBDGGPNFSFTOA-UHFFFAOYSA-N 1 0 360.523 4.312 1 0 FIAFRO Cc1cc(N)c2cc(NC(=O)c3ccc(-c4cccnc4)cc3)ccc2[nH+]1 ZINC000103237096 222327486 /nfs/dbraw/zinc/32/74/86/222327486.db2.gz NJNVKCVHTIPQFP-UHFFFAOYSA-N 1 0 354.413 4.440 1 0 FIAFRO C[C@@]1(c2cc(Nc3ncccc3Cl)ccc2F)CCSC(=[NH2+])N1 ZINC000169334550 222563959 /nfs/dbraw/zinc/56/39/59/222563959.db2.gz BIOUZBMWTGHMJN-INIZCTEOSA-N 1 0 350.850 4.285 1 0 FIAFRO C[C@@]12CCC[C@@H]3C[C@@]([C@H]4CCC[C@@H](Cc5ccc(N)nc5)C4)(C[C@H]([NH3+])[C@@H]31)O2 ZINC000085543286 291082518 /nfs/dbraw/zinc/08/25/18/291082518.db2.gz AYQIYMYUYUADHZ-NGQOLSHVSA-N 1 0 369.553 4.078 1 0 biogenic,in-vitro FIAFRO COc1ccc(C2=C(c3ccc(O)cc3)C[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000014696008 291082139 /nfs/dbraw/zinc/08/21/39/291082139.db2.gz JOMCLUGDXHCAGV-KRWDZBQOSA-N 1 0 351.446 4.188 1 0 biogenic,in-vitro FIAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2F)=C2CC[NH2+]CC2)cc1 ZINC000013814343 220095605 /nfs/dbraw/zinc/09/56/05/220095605.db2.gz YILCDOBCWWTHSF-UHFFFAOYSA-N 1 0 366.480 4.493 1 0 FIAFRO Cc1ccc([C@@H]2OC(=O)O[C@]3(c4ccc(C)cc4)CC[N@@H+](C)C[C@@H]23)cc1 ZINC000013804578 220096107 /nfs/dbraw/zinc/09/61/07/220096107.db2.gz BGZGKVAVORWNIY-ONTIZHBOSA-N 1 0 351.446 4.359 1 0 FIAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[N@@H+]1CCc2occc2C1)CCC3 ZINC000013817860 220096757 /nfs/dbraw/zinc/09/67/57/220096757.db2.gz HYPWGIMZDOLBLN-JOCHJYFZSA-N 1 0 350.462 4.034 1 0 FIAFRO C[NH+]1CCN(c2nc(-c3c[nH]c4ccccc34)cc(-c3ccccc3)n2)CC1 ZINC000028468780 132918418 /nfs/dbraw/zinc/91/84/18/132918418.db2.gz FISODBYOZVLVIT-UHFFFAOYSA-N 1 0 369.472 4.044 1 0 FIAFRO COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)NC(=[NH2+])CS2)cc1 ZINC000096906033 222137948 /nfs/dbraw/zinc/13/79/48/222137948.db2.gz JFLAZALMCCYJTK-NRFANRHFSA-N 1 0 361.470 4.062 1 0 FIAFRO Cc1ccc(C2=C(OC(=O)N(C)C)C3=[N+](C=CC3)c3ccccc3O2)cc1 ZINC000101020517 222259502 /nfs/dbraw/zinc/25/95/02/222259502.db2.gz JWOMNMODPZQPBP-UHFFFAOYSA-N 1 0 361.421 4.457 1 0 FIAFRO COc1ccc(-c2cc([C@@H](O)C[C@@H]3CCCC[NH2+]3)c3ccccc3n2)cc1 ZINC000169334756 222563548 /nfs/dbraw/zinc/56/35/48/222563548.db2.gz SECBAURNHRASLF-SBUREZEXSA-N 1 0 362.473 4.476 1 0 FIAFRO O=c1[nH]c([C@H]2CC[C@H]([NH+]3CCC(c4ccccc4)CC3)C2)nc2ccccc21 ZINC000028898957 581101250 /nfs/dbraw/zinc/10/12/50/581101250.db2.gz LJIFLONRFXAXBZ-PMACEKPBSA-N 1 0 373.500 4.439 1 0 FIAFRO C=C(c1ccccc1)c1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)[N@H+]3C)cc1 ZINC000013491018 220069982 /nfs/dbraw/zinc/06/99/82/220069982.db2.gz HVLZZLCPCRNKEL-AFXVXQJMSA-N 1 0 361.485 4.487 1 0 FIAFRO O=C1Cc2ccccc2N1C1CC[NH+]([C@@H]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000013561288 220075307 /nfs/dbraw/zinc/07/53/07/220075307.db2.gz UXEWRPZUKRZGHB-PIPMEXSNSA-N 1 0 352.522 4.399 1 0 FIAFRO Cc1noc(CSC[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000013584890 220076813 /nfs/dbraw/zinc/07/68/13/220076813.db2.gz ZDFZEYIOEFWTFE-GDBMZVCRSA-N 1 0 351.903 4.000 1 0 FIAFRO Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH+](CC2CCCCC2)CC1 ZINC000013799224 220094774 /nfs/dbraw/zinc/09/47/74/220094774.db2.gz VFLJXRCSXJBPAE-UHFFFAOYSA-N 1 0 353.510 4.369 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(/C=C/c2ccccc2)C1C(=O)OCC ZINC000017539659 220217962 /nfs/dbraw/zinc/21/79/62/220217962.db2.gz LTZHSBVHIKMMIM-RJCMYQOMSA-N 1 0 355.434 4.434 1 0 FIAFRO Cc1ccc(-c2ccc(-c3nc(-c4c(C)ncc5c4CC[NH2+]C5)no3)cc2)o1 ZINC000019220061 220241895 /nfs/dbraw/zinc/24/18/95/220241895.db2.gz SPWQLXRVUXCRSH-UHFFFAOYSA-N 1 0 372.428 4.321 1 0 FIAFRO COc1ccccc1C[NH2+][C@@H]1C2CCN(CC2)[C@H]1c1cccc(Cl)c1 ZINC000022443830 220387274 /nfs/dbraw/zinc/38/72/74/220387274.db2.gz LAUJLFDPPWBXRV-RTWAWAEBSA-N 1 0 356.897 4.274 1 0 FIAFRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000028218484 220562169 /nfs/dbraw/zinc/56/21/69/220562169.db2.gz JGCOVNBZGICBIO-WOIUINJBSA-N 1 0 353.506 4.416 1 0 FIAFRO COc1ccc(CCC(=O)N[C@@H](CC[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000028653912 220580418 /nfs/dbraw/zinc/58/04/18/220580418.db2.gz BMMSRFZZLSBZRR-FQEVSTJZSA-N 1 0 374.912 4.090 1 0 FIAFRO [NH3+]CCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1 ZINC000045324985 220969395 /nfs/dbraw/zinc/96/93/95/220969395.db2.gz JXLKVMLCHPAVCS-UHFFFAOYSA-N 1 0 368.872 4.086 1 0 FIAFRO CO[C@H]1CCC[N@@H+](C2CCN(c3cccc(-c4csc(C)n4)c3)CC2)C1 ZINC000063871749 221145173 /nfs/dbraw/zinc/14/51/73/221145173.db2.gz NECMMYGAQPLCBZ-FQEVSTJZSA-N 1 0 371.550 4.198 1 0 FIAFRO COc1ccccc1NC(=O)Nc1nc([C@H]([NH3+])C2CCCCC2)cs1 ZINC000061905569 221136714 /nfs/dbraw/zinc/13/67/14/221136714.db2.gz FVJJBMDXOLCCAN-MRXNPFEDSA-N 1 0 360.483 4.376 3 0 FIAFRO CSc1nn(-c2ccccc2)c2cc(OCC3CC[NH2+]CC3)ccc21 ZINC000072177585 221449970 /nfs/dbraw/zinc/44/99/70/221449970.db2.gz BPOPTLDGNGXRCF-UHFFFAOYSA-N 1 0 353.491 4.126 1 0 FIAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1 ZINC000096929239 222142085 /nfs/dbraw/zinc/14/20/85/222142085.db2.gz YKWKDJKRPXBHQV-QFBILLFUSA-N 1 0 367.468 4.141 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCSCC)[C@@H](CCC)C1C(=O)OCC ZINC000100038088 222232737 /nfs/dbraw/zinc/23/27/37/222232737.db2.gz AVYYRXCEXSLEFW-AQTLKONXSA-N 1 0 355.500 4.254 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000100025609 222232762 /nfs/dbraw/zinc/23/27/62/222232762.db2.gz HGABDBVYERTULD-NWCRWOLESA-N 1 0 369.339 4.127 1 0 FIAFRO CC(C)(C)NC(=O)N[C@H]1CC[C@H](CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000103283905 222332394 /nfs/dbraw/zinc/33/23/94/222332394.db2.gz ZEQMTWIDCFWVDG-MSEWRSJXSA-N 1 0 357.542 4.091 1 0 FIAFRO O=C1O[C@H](c2ccccc2Cl)CN1c1cccc(OC2CC[NH2+]CC2)c1 ZINC000169347324 222564600 /nfs/dbraw/zinc/56/46/00/222564600.db2.gz FKMROTXMCRSJED-IBGZPJMESA-N 1 0 372.852 4.169 1 0 FIAFRO Clc1cccc(Cc2nc3c(ccnc3NCC[C@@H]3CCCC[NH2+]3)o2)c1 ZINC000028526270 581095643 /nfs/dbraw/zinc/09/56/43/581095643.db2.gz KBJGRHGRZYRRHG-INIZCTEOSA-N 1 0 370.884 4.411 1 0 FIAFRO COC(=O)[C@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475004 220069769 /nfs/dbraw/zinc/06/97/69/220069769.db2.gz BGZDNABQVVRBEL-UXHICEINSA-N 1 0 357.881 4.161 1 0 FIAFRO CO[C@@H]1CC2=CC[C@H]3[C@@H]4CC=C([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O ZINC000013587846 220076888 /nfs/dbraw/zinc/07/68/88/220076888.db2.gz NGSWUPZJKYFTDE-FADSCHIBSA-N 1 0 373.581 4.421 1 0 FIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2c(c1)OCC2 ZINC000013761420 220093875 /nfs/dbraw/zinc/09/38/75/220093875.db2.gz OCEYWZYUHMZFIR-IBGZPJMESA-N 1 0 351.490 4.225 1 0 FIAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000013814120 220095617 /nfs/dbraw/zinc/09/56/17/220095617.db2.gz CKNSULFOVOHSDA-QFIPXVFZSA-N 1 0 350.506 4.300 1 0 FIAFRO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1 ZINC000049051192 221017778 /nfs/dbraw/zinc/01/77/78/221017778.db2.gz NVAIDUCTTKMBKT-HOTGVXAUSA-N 1 0 372.394 4.141 1 0 FIAFRO CCOC(=O)c1ccc2c(c1)c1c(c(-c3ccc(Cl)cc3)[n+]2C)CCO1 ZINC000049048930 221018164 /nfs/dbraw/zinc/01/81/64/221018164.db2.gz AYYQAUIZWAMKPD-UHFFFAOYSA-N 1 0 368.840 4.096 1 0 FIAFRO O=C1c2ccc(-c3ccc(F)cc3)cc2CCN1CC[NH+]1CCCCCC1 ZINC000059112278 221123922 /nfs/dbraw/zinc/12/39/22/221123922.db2.gz ULDQVOFOHYQSEB-UHFFFAOYSA-N 1 0 366.480 4.367 1 0 FIAFRO Clc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c[nH]c3ncccc23)cc1 ZINC000058536462 221121009 /nfs/dbraw/zinc/12/10/09/221121009.db2.gz UPZQTOBGZYRXMC-MOPGFXCFSA-N 1 0 366.896 4.460 1 0 FIAFRO Cc1[nH]c(/C=C2/c3ccccc3NC2=O)c(C)c1-c1cccc(NCC[NH3+])c1 ZINC000071332636 221343956 /nfs/dbraw/zinc/34/39/56/221343956.db2.gz KDEXEJWVRCBCEZ-UYRXBGFRSA-N 1 0 372.472 4.162 1 0 FIAFRO C[C@H](CO)[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000072179225 221449979 /nfs/dbraw/zinc/44/99/79/221449979.db2.gz OOOGYHDDMFLPAC-OAHLLOKOSA-N 1 0 368.908 4.112 1 0 FIAFRO CC[NH+](CC)CC(=O)N1C[C@@H](c2ccccc2)Oc2c(C)c(C)cc(C)c21 ZINC000040899096 136120458 /nfs/dbraw/zinc/12/04/58/136120458.db2.gz MUHGROROZPTGFA-FQEVSTJZSA-N 1 0 366.505 4.420 1 0 FIAFRO CC[NH+](CC)CC(=O)N1CC(C)(C)Oc2c(C)c(C)c(Cl)c(C)c21 ZINC000040980088 136120670 /nfs/dbraw/zinc/12/06/70/136120670.db2.gz JJQSXQVSWIFIND-UHFFFAOYSA-N 1 0 352.906 4.111 1 0 FIAFRO Cc1ccc(NC(=O)NC2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000045209995 136121918 /nfs/dbraw/zinc/12/19/18/136121918.db2.gz YFQLISAZWYHDSE-UHFFFAOYSA-N 1 0 360.461 4.334 1 0 FIAFRO CC(C)CC[NH2+]Cc1ccc(N2CCCc3cc(C(N)=O)ccc32)cc1 ZINC000066258330 136136730 /nfs/dbraw/zinc/13/67/30/136136730.db2.gz SKHUMRSIWUJZLG-UHFFFAOYSA-N 1 0 351.494 4.006 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(Cl)cc2Cl)C1C(=O)OC ZINC000096901786 222136436 /nfs/dbraw/zinc/13/64/36/222136436.db2.gz MXBUGAZMIAKHDO-WSTOHFRZSA-N 1 0 370.232 4.415 1 0 FIAFRO O[C@@]1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ccccc12 ZINC000101185059 222265098 /nfs/dbraw/zinc/26/50/98/222265098.db2.gz LEBXHMQTGORPIS-NGRWLJPCSA-N 1 0 350.437 4.322 1 0 FIAFRO NC(=[NH2+])c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1 ZINC000028365421 581097271 /nfs/dbraw/zinc/09/72/71/581097271.db2.gz FWEWLZSBDNPNAD-UHFFFAOYSA-N 1 0 367.456 4.443 1 0 FIAFRO [NH3+]CCC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000045337224 581098506 /nfs/dbraw/zinc/09/85/06/581098506.db2.gz MUQOWMZMUVGSPN-FQEVSTJZSA-N 1 0 359.901 4.176 1 0 FIAFRO CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OCC[NH2+]CCOC(=O)Nc1ccccc1)C2 ZINC000013146627 220060146 /nfs/dbraw/zinc/06/01/46/220060146.db2.gz LBEOWKDSFZCIPA-MMOPVJDHSA-N 1 0 360.498 4.056 1 0 FIAFRO CC[NH+](CC)CCNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c31)NC2=O ZINC000013535968 220071900 /nfs/dbraw/zinc/07/19/00/220071900.db2.gz KYEOZKUGBAEJRO-UHFFFAOYSA-N 1 0 366.440 4.293 1 0 FIAFRO CCC[C@@H](C[NH+]1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013446363 220068148 /nfs/dbraw/zinc/06/81/48/220068148.db2.gz XQRRYJUZESLMDP-HNNXBMFYSA-N 1 0 357.325 4.259 1 0 FIAFRO CC(C)Cn1c2ccccc2c2cc(NC(=O)CC[NH+]3CCCC3)ncc21 ZINC000013490279 220070047 /nfs/dbraw/zinc/07/00/47/220070047.db2.gz SMRVFXWCFCCDDO-UHFFFAOYSA-N 1 0 364.493 4.270 1 0 FIAFRO C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)Nc4ccc(F)cc4)nc32)CC1 ZINC000013523768 220070476 /nfs/dbraw/zinc/07/04/76/220070476.db2.gz ZUEGCTDXCINXIG-UHFFFAOYSA-N 1 0 367.428 4.155 1 0 FIAFRO CC(=O)Nc1cccc([C@]2(C)CC[N@@H+](CCc3ccccc3)C[C@@H]2C)c1 ZINC000013587973 220076799 /nfs/dbraw/zinc/07/67/99/220076799.db2.gz DSKWWUVQDXHXCE-FDDCHVKYSA-N 1 0 350.506 4.487 1 0 FIAFRO COc1ccc([C@H](CC[NH+]2CCCC2)c2c(O)cc(OC)cc2OC)cc1 ZINC000013661643 220081434 /nfs/dbraw/zinc/08/14/34/220081434.db2.gz BDSUONJLFCYUFN-IBGZPJMESA-N 1 0 371.477 4.036 3 0 FIAFRO C[NH2+]CC[C@@H](Oc1ccccc1I)c1ccccc1 ZINC000013730744 220090942 /nfs/dbraw/zinc/09/09/42/220090942.db2.gz SVWCZHHSRIZTQG-OAHLLOKOSA-N 1 0 367.230 4.021 1 0 FIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(F)cc1)[C@@H]2COc1ccc2c(c1)OCO2 ZINC000013776966 220093438 /nfs/dbraw/zinc/09/34/38/220093438.db2.gz CUWDCKZGAWYXEX-OJAHFUOMSA-N 1 0 369.436 4.200 1 0 FIAFRO COc1ccc(C[C@H]2[NH2+]CCc3c4cc(C)c(C)cc4[nH]c32)cc1OC ZINC000013756928 220093459 /nfs/dbraw/zinc/09/34/59/220093459.db2.gz ODXWUVNDEWRVGP-LJQANCHMSA-N 1 0 350.462 4.231 1 0 FIAFRO COc1ccc(C(=O)c2cn(C[C@H]3CCCC[N@@H+]3C)c3ccccc23)cc1 ZINC000013781965 220094652 /nfs/dbraw/zinc/09/46/52/220094652.db2.gz VFWLFYIKEQOJRN-GOSISDBHSA-N 1 0 362.473 4.365 1 0 FIAFRO CCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 ZINC000013818076 220097256 /nfs/dbraw/zinc/09/72/56/220097256.db2.gz PWYSKXCZAVHRME-UHFFFAOYSA-N 1 0 370.494 4.432 1 0 FIAFRO COc1ccc(C[C@@H]2[NH2+]CCc3c2[nH]c2cc(C)cc(C)c23)cc1OC ZINC000026659814 220517780 /nfs/dbraw/zinc/51/77/80/220517780.db2.gz WNGFUYSKMQCFSG-SFHVURJKSA-N 1 0 350.462 4.231 1 0 FIAFRO CC1(C)[C@@H]2C[C@H]1[C@H](C[NH+]1CCC(N3c4ccccc4CC3=O)CC1)CC2 ZINC000026748670 220522077 /nfs/dbraw/zinc/52/20/77/220522077.db2.gz VBVYMUJWPFCVLU-BJLQDIEVSA-N 1 0 352.522 4.112 1 0 FIAFRO CC[C@H]1CC(=O)C[C@@]23CC[N@H+](CC4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13 ZINC000029483803 220605054 /nfs/dbraw/zinc/60/50/54/220605054.db2.gz UMODTPQPINIWKV-KKPKCPPISA-N 1 0 353.506 4.066 1 0 FIAFRO CCOc1cc(OC)c(C(=O)Nc2cccc3c2CC[NH2+][C@@H]3C)cc1Cl ZINC000040811205 220921810 /nfs/dbraw/zinc/92/18/10/220921810.db2.gz PYPQVUDHJIZQQU-GFCCVEGCSA-N 1 0 374.868 4.206 1 0 FIAFRO CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CC[N@H+](C)[C@@H](C)C1 ZINC000053059668 221041372 /nfs/dbraw/zinc/04/13/72/221041372.db2.gz IMZYOZMMPLONHQ-LBPRGKRZSA-N 1 0 358.486 4.221 1 0 FIAFRO CC(=O)C[C@H]1Cc2sccc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000053295029 221044481 /nfs/dbraw/zinc/04/44/81/221044481.db2.gz IRJBGBHTINPQGQ-SFHVURJKSA-N 1 0 355.503 4.160 1 0 FIAFRO CCC(=O)c1cnn2c1nc(C)c(C[NH3+])c2-c1ccc(Cl)cc1Cl ZINC000058575964 221122073 /nfs/dbraw/zinc/12/20/73/221122073.db2.gz SDGCYXKGBNBPKG-UHFFFAOYSA-N 1 0 363.248 4.063 1 0 FIAFRO CCCNC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000061907728 221136856 /nfs/dbraw/zinc/13/68/56/221136856.db2.gz DVYGGEJYRWKRAJ-HSZRJFAPSA-N 1 0 350.506 4.482 3 0 FIAFRO CCCNC(=O)[C@]1(C)CCC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000061926345 221137257 /nfs/dbraw/zinc/13/72/57/221137257.db2.gz HVHQVUDECGUALK-HSZRJFAPSA-N 1 0 350.506 4.482 3 0 FIAFRO CN(C)c1ccc(NC(=O)Nc2nc([C@H]([NH3+])C3CCCCC3)cs2)cc1 ZINC000061929433 221138326 /nfs/dbraw/zinc/13/83/26/221138326.db2.gz MRSZWKRMGABGLT-QGZVFWFLSA-N 1 0 373.526 4.433 3 0 FIAFRO COc1ccc(C[NH2+]C2CCC3(CC2)O[C@@H](OC)Cc2ccccc23)cc1 ZINC000071340958 221343815 /nfs/dbraw/zinc/34/38/15/221343815.db2.gz DNIJYSZGAWKCFH-RUDSSYLZSA-N 1 0 367.489 4.168 1 0 FIAFRO O=C1c2ccc(F)cc2C[C@H]1CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000169350270 132261796 /nfs/dbraw/zinc/26/17/96/132261796.db2.gz JLUQWCZYPJKNMK-OAHLLOKOSA-N 1 0 372.871 4.046 1 0 FIAFRO O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1CC[NH+]1CCCCC1 ZINC000096928646 222141092 /nfs/dbraw/zinc/14/10/92/222141092.db2.gz NAAUCTMXPMHSCE-INIZCTEOSA-N 1 0 359.322 4.053 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(C(F)(F)F)cc2)C1C(=O)OC ZINC000100018883 222231869 /nfs/dbraw/zinc/23/18/69/222231869.db2.gz HSFKHBCFEZQMJN-WTNDLDAUSA-N 1 0 369.339 4.127 1 0 FIAFRO C=C1[NH2+]C(=C)C(C(=O)OCCSCC)[C@H](CCC)C1C(=O)OCC ZINC000100038090 222233412 /nfs/dbraw/zinc/23/34/12/222233412.db2.gz AVYYRXCEXSLEFW-DHSYKJLNSA-N 1 0 355.500 4.254 1 0 FIAFRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000040631558 568145913 /nfs/dbraw/zinc/14/59/13/568145913.db2.gz JGCOVNBZGICBIO-KNKQGSTJSA-N 1 0 353.506 4.416 1 0 FIAFRO O=c1[nH]c([C@@H]2CC[C@H]([NH+]3CCC(c4ccccc4)CC3)C2)nc2ccccc21 ZINC000028898952 581101208 /nfs/dbraw/zinc/10/12/08/581101208.db2.gz LJIFLONRFXAXBZ-UXHICEINSA-N 1 0 373.500 4.439 1 0 FIAFRO O=c1[nH]c([C@H]2CC[C@@H]([NH+]3CCC(c4ccccc4)CC3)C2)nc2ccccc21 ZINC000028898950 581101246 /nfs/dbraw/zinc/10/12/46/581101246.db2.gz LJIFLONRFXAXBZ-VQTJNVASSA-N 1 0 373.500 4.439 1 0 FIAFRO C[C@]1(C[NH+]2CCCC2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013449314 220068225 /nfs/dbraw/zinc/06/82/25/220068225.db2.gz HQWIOXIOBQOQJB-LJQANCHMSA-N 1 0 369.336 4.403 1 0 FIAFRO CCC[N@H+](C)C[C@H](C(C)C)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013446345 220068319 /nfs/dbraw/zinc/06/83/19/220068319.db2.gz TXQGZCZQFMLNSO-QGZVFWFLSA-N 1 0 359.341 4.361 1 0 FIAFRO CO[C@H]1Cc2ccccc2C2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000013472041 220068463 /nfs/dbraw/zinc/06/84/63/220068463.db2.gz IJKYJDDNDXAREJ-JOCHJYFZSA-N 1 0 351.490 4.156 1 0 FIAFRO FC(F)(F)c1nc2c(ccc3c2O[C@@H](C[NH2+]Cc2ccccc2)CC3)[nH]1 ZINC000013586898 220077307 /nfs/dbraw/zinc/07/73/07/220077307.db2.gz JFFIIIVILGKQSZ-CQSZACIVSA-N 1 0 361.367 4.065 1 0 FIAFRO COc1cc(CC[NH2+]Cc2ccc(C)cc2)c(OC)cc1Br ZINC000013737384 220092436 /nfs/dbraw/zinc/09/24/36/220092436.db2.gz FZBVRJKJVDTPEY-UHFFFAOYSA-N 1 0 364.283 4.107 1 0 FIAFRO COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2c(c1)COC2 ZINC000013761422 220093358 /nfs/dbraw/zinc/09/33/58/220093358.db2.gz AEYXBENLNPAYSV-SFHVURJKSA-N 1 0 351.490 4.320 1 0 FIAFRO COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@H]3CCC[N@@H+]3C2)cc1 ZINC000014695996 220130049 /nfs/dbraw/zinc/13/00/49/220130049.db2.gz WOAHFBLGXWXVSL-GOSISDBHSA-N 1 0 365.473 4.491 1 0 biogenic,in-vitro FIAFRO c1ncc(C2(c3cncs3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)s1 ZINC000026649949 220519398 /nfs/dbraw/zinc/51/93/98/220519398.db2.gz KZMYFKPKBGNIGS-XLIONFOSSA-N 1 0 374.514 4.312 1 0 FIAFRO CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000026835894 220524594 /nfs/dbraw/zinc/52/45/94/220524594.db2.gz KILKAFDVKRZHIX-YADHBBJMSA-N 1 0 350.506 4.248 1 0 FIAFRO C[C@@H]1c2ccc(-c3cnc(N)nc3)cc2[N+](=O)C1c1ccc(Cl)cc1 ZINC000028395990 220574395 /nfs/dbraw/zinc/57/43/95/220574395.db2.gz SJXIVSIRJRHJQE-LLVKDONJSA-N 1 0 350.809 4.127 1 0 FIAFRO O=C1NC[C@H](c2ccc(F)cc2)C12CC[NH+](C1(C3CC3)CCCCC1)CC2 ZINC000040566114 220910144 /nfs/dbraw/zinc/91/01/44/220910144.db2.gz NAKJFKNFWPTOSL-HXUWFJFHSA-N 1 0 370.512 4.234 1 0 FIAFRO C[NH+]1CCN(C2=Nc3ccc(Cl)cc3CC=C2c2ccccc2)CC1 ZINC000040640409 220914419 /nfs/dbraw/zinc/91/44/19/220914419.db2.gz CUUBOIZWQOFHBU-UHFFFAOYSA-N 1 0 351.881 4.257 1 0 FIAFRO O=C(NCC1CC[NH2+]CC1)c1ccccc1-c1ccc(Cl)c(Cl)c1 ZINC000049034757 221017737 /nfs/dbraw/zinc/01/77/37/221017737.db2.gz MKEDPXZPXYVNQK-UHFFFAOYSA-N 1 0 363.288 4.390 1 0 FIAFRO O=C1NC(=S)SC1=Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000049032904 221018366 /nfs/dbraw/zinc/01/83/66/221018366.db2.gz IWHWCNPQWQHGCP-SSZFMOIBSA-N 1 0 362.520 4.271 1 0 FIAFRO CCCNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000061895677 221135125 /nfs/dbraw/zinc/13/51/25/221135125.db2.gz JJBXTURMBLPEOL-INIZCTEOSA-N 1 0 362.823 4.097 3 0 FIAFRO CC(C)[C@H]([NH3+])c1csc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000061908848 221136906 /nfs/dbraw/zinc/13/69/06/221136906.db2.gz KYLVNMQZPOHQBJ-LBPRGKRZSA-N 1 0 374.388 4.342 3 0 FIAFRO COc1ccccc1NC(=O)Nc1nc([C@@H]([NH3+])Cc2ccccc2)cs1 ZINC000061925583 221137184 /nfs/dbraw/zinc/13/71/84/221137184.db2.gz LVKPYKHFSNBMAL-AWEZNQCLSA-N 1 0 368.462 4.038 3 0 FIAFRO CCc1ccc(O[C@]2(C)CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000061903851 221137304 /nfs/dbraw/zinc/13/73/04/221137304.db2.gz HOGGOCDYAINOFA-JOCHJYFZSA-N 1 0 353.462 4.064 3 0 FIAFRO Cn1ccc2ncnc(Oc3ccc(Nc4[nH]c5ccccc5[nH+]4)cc3)c21 ZINC000064437004 221146003 /nfs/dbraw/zinc/14/60/03/221146003.db2.gz YXAQBFXRVSBMEL-UHFFFAOYSA-N 1 0 356.389 4.381 1 0 in-vitro FIAFRO O=C1c2ccc(F)cc2C[C@@H]1CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000169350269 132261758 /nfs/dbraw/zinc/26/17/58/132261758.db2.gz JLUQWCZYPJKNMK-HNNXBMFYSA-N 1 0 372.871 4.046 1 0 FIAFRO Cc1cccc(Nc2nc(-c3ccncc3N3CC[NH+](C)CC3)cs2)c1 ZINC000072114211 136142054 /nfs/dbraw/zinc/14/20/54/136142054.db2.gz UUQVBRSMVSLTSN-UHFFFAOYSA-N 1 0 365.506 4.009 1 0 FIAFRO Cc1ccc(C)c(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)c1 ZINC000072185288 136143786 /nfs/dbraw/zinc/14/37/86/136143786.db2.gz VBRHDQDTVRICHT-UHFFFAOYSA-N 1 0 365.452 4.420 1 0 FIAFRO Cc1nc(-c2cccc(N3CCC([NH2+][C@@H]4CCSC4)CC3)c2)cs1 ZINC000023192968 136152382 /nfs/dbraw/zinc/15/23/82/136152382.db2.gz ZRGQCFYWQMQPNW-QGZVFWFLSA-N 1 0 359.564 4.182 1 0 FIAFRO O=c1cc(-c2ccccc2)c2ccccc2n1C[C@H]1C[NH+]2CCC1(F)CC2 ZINC000095590083 221965607 /nfs/dbraw/zinc/96/56/07/221965607.db2.gz WAKWRGXSRGAPEP-GOSISDBHSA-N 1 0 362.448 4.102 1 0 FIAFRO CCN1CCc2c(c(C(C)(C)C)nn2C(=O)Nc2ccc(C)cc2C)C1 ZINC000096917471 222139236 /nfs/dbraw/zinc/13/92/36/222139236.db2.gz WGBPGWIIGPMVJC-UHFFFAOYSA-N 1 0 354.498 4.256 1 0 FIAFRO C[NH2+][C@H]1CC[C@@H](N2CCc3ccc(NC(=N)c4cccs4)cc32)CC1 ZINC000101472611 222276687 /nfs/dbraw/zinc/27/66/87/222276687.db2.gz HGVUTNMCDMGTOE-JCNLHEQBSA-N 1 0 354.523 4.079 1 0 FIAFRO [NH3+][C@H]1CC[C@H](Nc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)CC1 ZINC000101706764 222282593 /nfs/dbraw/zinc/28/25/93/222282593.db2.gz NQGMOQOKDFPUAO-KDURUIRLSA-N 1 0 357.461 4.231 1 0 FIAFRO [NH3+]CCC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1C1CCCCC1 ZINC000045337226 581098559 /nfs/dbraw/zinc/09/85/59/581098559.db2.gz MUQOWMZMUVGSPN-HXUWFJFHSA-N 1 0 359.901 4.176 1 0 FIAFRO C[C@H]1CCC[C@@H](C[NH+]2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013449294 220068376 /nfs/dbraw/zinc/06/83/76/220068376.db2.gz WUQKVKRTLLTZNV-HOCLYGCPSA-N 1 0 369.336 4.401 1 0 FIAFRO Clc1ccc([C@H](CC[NH2+]CCCc2c[nH]cn2)c2ccccn2)cc1 ZINC000013490249 220069317 /nfs/dbraw/zinc/06/93/17/220069317.db2.gz JSFCRCOLLFTCQM-IBGZPJMESA-N 1 0 354.885 4.203 1 0 FIAFRO C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(C(N)=O)c1 ZINC000013587992 220077169 /nfs/dbraw/zinc/07/71/69/220077169.db2.gz CIWNAGFVIRHUEY-YCRPNKLZSA-N 1 0 356.897 4.239 1 0 FIAFRO C[N@H+](CCc1ccc2c(c1)OCO2)C[C@@H]1CC[C@H]2CCOc3cccc1c32 ZINC000013761411 220092900 /nfs/dbraw/zinc/09/29/00/220092900.db2.gz NXQMDHCUAYGGFA-ROUUACIJSA-N 1 0 365.473 4.333 1 0 FIAFRO Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1cscn1 ZINC000013775816 220093678 /nfs/dbraw/zinc/09/36/78/220093678.db2.gz KWPXSKNHWQZFNB-HZPDHXFCSA-N 1 0 363.895 4.425 1 0 FIAFRO CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000013814123 220095924 /nfs/dbraw/zinc/09/59/24/220095924.db2.gz CKNSULFOVOHSDA-JOCHJYFZSA-N 1 0 350.506 4.300 1 0 FIAFRO O=C1Nc2cccc3c2[C@]1(CCCC[N@@H+]1CCc2ccccc2C1)CCC3 ZINC000013817845 220096686 /nfs/dbraw/zinc/09/66/86/220096686.db2.gz PUBJWCSGOQBHSX-DEOSSOPVSA-N 1 0 360.501 4.441 1 0 FIAFRO C[NH+](C)CC[C@@]1(Cc2ccncc2)c2ccccc2N(c2ccccc2)C1=O ZINC000026733131 220520490 /nfs/dbraw/zinc/52/04/90/220520490.db2.gz RCNOMZBGTHQPSF-XMMPIXPASA-N 1 0 371.484 4.192 1 0 FIAFRO CCc1cc2c(s1)Nc1ccc(F)cc1NC2=NCC[NH+]1CCCC1 ZINC000028003967 220555954 /nfs/dbraw/zinc/55/59/54/220555954.db2.gz ISGRKXLPUHUAHK-UHFFFAOYSA-N 1 0 358.486 4.270 1 0 FIAFRO CC(=O)N1c2ccccc2S[C@@H]1c1ccc(OCCC[NH+](C)C)cc1 ZINC000028015947 220556866 /nfs/dbraw/zinc/55/68/66/220556866.db2.gz GELOQKPOIIYWIR-HXUWFJFHSA-N 1 0 356.491 4.175 1 0 FIAFRO FC(F)(F)c1ccc(SC[C@H](c2c[nH]cn2)C2CC[NH2+]CC2)cc1 ZINC000064564987 221148576 /nfs/dbraw/zinc/14/85/76/221148576.db2.gz HGLGWLWXYRAXPK-HNNXBMFYSA-N 1 0 355.429 4.304 1 0 FIAFRO Cc1ccccc1NC(=O)Nc1nc([C@H]([NH3+])Cc2ccccc2)cs1 ZINC000061908635 221136444 /nfs/dbraw/zinc/13/64/44/221136444.db2.gz QZPHWROOYJMUFW-OAHLLOKOSA-N 1 0 352.463 4.338 3 0 FIAFRO Clc1ccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)cc1 ZINC000066259247 221244133 /nfs/dbraw/zinc/24/41/33/221244133.db2.gz DJHSWHVLFCCTID-UHFFFAOYSA-N 1 0 362.930 4.313 1 0 FIAFRO COC(=O)C[C@@H]1c2ccccc2[NH+]=C(N2CCCCC2)N1c1ccccc1 ZINC000100881413 136151124 /nfs/dbraw/zinc/15/11/24/136151124.db2.gz KJQOEXRCADXDKA-HXUWFJFHSA-N 1 0 363.461 4.284 1 0 FIAFRO C[C@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc3ccccc3s1)[NH2+]2 ZINC000005275010 570678116 /nfs/dbraw/zinc/67/81/16/570678116.db2.gz BAGPJGSPOHTGMQ-WMFXKJRFSA-N 1 0 355.385 4.159 2 0 FIAFRO