smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1c2ccccc2[nH]c1-c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000001909650 209805608 /nfs/dbraw/zinc/80/56/08/209805608.db2.gz CJJQNFCZLGSSMK-UHFFFAOYSA-N 1 0 334.463 5.090 1 0 EKAFRO CN1Cc2ccccc2[C@@H](c2ccccc2)[NH+]=C1CCc1ccccc1 ZINC000003779565 210074995 /nfs/dbraw/zinc/07/49/95/210074995.db2.gz ULFIJMOTDRIEPH-XMMPIXPASA-N 1 0 340.470 5.253 1 0 EKAFRO C(=C/c1ccccc1)\COCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000003792664 210075417 /nfs/dbraw/zinc/07/54/17/210075417.db2.gz XSRZDWFALCQUFX-RIYZIHGNSA-N 1 0 349.518 5.061 1 0 EKAFRO CC(=O)c1cccc(-c2ccc3oc(CC[N@H+]4CCC[C@H]4C)cc3c2)c1 ZINC000003989613 210097583 /nfs/dbraw/zinc/09/75/83/210097583.db2.gz AZWATKGVDUSMSO-MRXNPFEDSA-N 1 0 347.458 5.329 1 0 EKAFRO [NH2+]=C1NC(c2ccc(Cl)cc2)=C[C@H](c2cccc(Cl)c2)S1 ZINC000006534912 210648363 /nfs/dbraw/zinc/64/83/63/210648363.db2.gz YESVGXMPKWCTKG-OAHLLOKOSA-N 1 0 335.259 5.137 1 0 EKAFRO CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ncc[nH]1 ZINC000013472120 211562394 /nfs/dbraw/zinc/56/23/94/211562394.db2.gz GIHOQYUWVGLFEE-UHFFFAOYSA-N 1 0 340.450 5.144 1 0 EKAFRO CC[C@H](C1=C(CC[NH+](C)C)Cc2cc(Cl)ccc21)c1ccccn1 ZINC000013493469 211567750 /nfs/dbraw/zinc/56/77/50/211567750.db2.gz DDXKWKGIBLVYQU-SFHVURJKSA-N 1 0 340.898 5.190 1 0 EKAFRO CC(C)[NH+](CCC1=C([C@@H](C)c2ccccn2)c2ccccc2C1)C(C)C ZINC000013493478 211568236 /nfs/dbraw/zinc/56/82/36/211568236.db2.gz HBRHULDGKNIFGB-IBGZPJMESA-N 1 0 348.534 5.704 1 0 EKAFRO Cc1cc(OCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000013517636 211569610 /nfs/dbraw/zinc/56/96/10/211569610.db2.gz PJDOZLJOLXUPTG-UHFFFAOYSA-N 1 0 329.871 5.213 1 0 EKAFRO Fc1ccc([C@H](Oc2cccc3ccccc32)[C@H]2CCC[NH2+]C2)cc1 ZINC000013530796 211572305 /nfs/dbraw/zinc/57/23/05/211572305.db2.gz IPDCCVKJMHCEER-AVRDEDQJSA-N 1 0 335.422 5.099 1 0 EKAFRO c1ccc(-c2ccccc2O[C@@H](c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000013530822 211572197 /nfs/dbraw/zinc/57/21/97/211572197.db2.gz FLGYYSHYPROZJQ-DEOSSOPVSA-N 1 0 343.470 5.473 1 0 EKAFRO c1ccc(-c2ccccc2O[C@H](c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000013530825 211572165 /nfs/dbraw/zinc/57/21/65/211572165.db2.gz FLGYYSHYPROZJQ-XMMPIXPASA-N 1 0 343.470 5.473 1 0 EKAFRO C[N@@H+]1CCCC[C@H]1CC1(c2ccc(Cl)cc2)SCCCS1 ZINC000013554193 211577096 /nfs/dbraw/zinc/57/70/96/211577096.db2.gz GGEQMDOEYKWWPL-INIZCTEOSA-N 1 0 341.973 5.237 1 0 EKAFRO c1ccc(CC2CC[NH+](C[C@@H]3CCCc4ccccc4C3)CC2)cc1 ZINC000013607190 211591192 /nfs/dbraw/zinc/59/11/92/211591192.db2.gz BPMOOEDLDRJAKW-JOCHJYFZSA-N 1 0 333.519 5.136 1 0 EKAFRO C[NH+](C)[C@H]1C=C[C@]2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 ZINC000013649954 211598924 /nfs/dbraw/zinc/59/89/24/211598924.db2.gz FZXSXMYFIZKXPT-UGKGYDQZSA-N 1 0 335.878 5.390 1 0 EKAFRO COc1ccc2c(c1)CCC[C@H]2CCCC[N@@H+]1CCCCC1(C)C ZINC000013678043 201908469 /nfs/dbraw/zinc/90/84/69/201908469.db2.gz HEOZYMCFSRFTKA-GOSISDBHSA-N 1 0 329.528 5.550 1 0 EKAFRO COc1ccc2c(c1)CCC[C@H]2CCCC[N@@H+]1CCCC(C)(C)C1 ZINC000013678047 201908316 /nfs/dbraw/zinc/90/83/16/201908316.db2.gz SNLOFIRURZRKNV-GOSISDBHSA-N 1 0 329.528 5.407 1 0 EKAFRO c1csc(C2=CC[N@H+](C[C@H]3CCC=C(c4ccccc4)C3)CC2)c1 ZINC000013738843 211627263 /nfs/dbraw/zinc/62/72/63/211627263.db2.gz RDVUGHRYXIWMDD-SFHVURJKSA-N 1 0 335.516 5.721 1 0 EKAFRO Fc1ccc(C2=CCC[C@@H](C[N@H+]3CC=C(c4ccccc4)CC3)C2)cc1 ZINC000013738850 211626526 /nfs/dbraw/zinc/62/65/26/211626526.db2.gz ZWUNBPHDMGCKGM-LJQANCHMSA-N 1 0 347.477 5.799 1 0 EKAFRO CCCCCC/[NH+]=c1\ccn(Cc2ccccc2)c2ccc(OC)cc21 ZINC000013741411 211629232 /nfs/dbraw/zinc/62/92/32/211629232.db2.gz AKTUPZSAOZHNRV-ZNTNEXAZSA-N 1 0 348.490 5.179 1 0 EKAFRO c1ccc2c(c1)COC21CC[NH+](CCCCC2CCCCC2)CC1 ZINC000013741536 211629100 /nfs/dbraw/zinc/62/91/00/211629100.db2.gz NHECUYJWUCKGPW-UHFFFAOYSA-N 1 0 327.512 5.259 1 0 EKAFRO CCC[N@H+](CCc1cccs1)[C@@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741741 581094206 /nfs/dbraw/zinc/09/42/06/581094206.db2.gz OLGRDJBZDHQHOJ-QGZVFWFLSA-N 1 0 338.520 5.041 1 0 EKAFRO CCC[N@H+](CCc1cccs1)[C@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741742 581094315 /nfs/dbraw/zinc/09/43/15/581094315.db2.gz OLGRDJBZDHQHOJ-KRWDZBQOSA-N 1 0 338.520 5.041 1 0 EKAFRO c1ccc(C[NH+]2CCC(CCc3nsc4ccccc34)CC2)cc1 ZINC000013745755 581091173 /nfs/dbraw/zinc/09/11/73/581091173.db2.gz QMQQOVGCVPEGSA-UHFFFAOYSA-N 1 0 336.504 5.141 1 0 EKAFRO c1ccc(C[NH+]2CCC(CCCc3noc4ccccc34)CC2)cc1 ZINC000013745783 581091156 /nfs/dbraw/zinc/09/11/56/581091156.db2.gz WNFJUFWSHLTWLJ-UHFFFAOYSA-N 1 0 334.463 5.063 1 0 EKAFRO CCC[NH+](CCC)[C@H]1CCc2c(F)ccc(-c3cccs3)c2C1 ZINC000013759317 211633669 /nfs/dbraw/zinc/63/36/69/211633669.db2.gz XQAPPINGDDOWEW-HNNXBMFYSA-N 1 0 331.500 5.534 1 0 EKAFRO Cc1ccc(-n2cc(C[NH2+]CC3CCCCC3)c3ccccc32)cc1 ZINC000014978636 201946414 /nfs/dbraw/zinc/94/64/14/201946414.db2.gz MMIJMYOYKAKQPN-UHFFFAOYSA-N 1 0 332.491 5.609 1 0 in-vivo EKAFRO Cc1cccc2c1Oc1ccccc1[C@@H]2SCC[NH+]1CCCCC1 ZINC000025968263 202137828 /nfs/dbraw/zinc/13/78/28/202137828.db2.gz KRXPHOAJOARONV-NRFANRHFSA-N 1 0 339.504 5.409 1 0 EKAFRO Cc1cccc2c1Oc1ccccc1[C@H]2SCC[NH+]1CCCCC1 ZINC000025968269 202138162 /nfs/dbraw/zinc/13/81/62/202138162.db2.gz KRXPHOAJOARONV-OAQYLSRUSA-N 1 0 339.504 5.409 1 0 EKAFRO c1ccc2cc(C[N@@H+]3CC[C@H]4c5ccccc5CC[C@H]4C3)ccc2c1 ZINC000026171581 202139886 /nfs/dbraw/zinc/13/98/86/202139886.db2.gz DHGCVKUAXYUOLN-LADGPHEKSA-N 1 0 327.471 5.392 1 0 EKAFRO c1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)c2ccccc2N3c2ccccc2)cc1 ZINC000026180637 202140336 /nfs/dbraw/zinc/14/03/36/202140336.db2.gz OZKIVMASBYKQNB-UPVQGACJSA-N 1 0 340.470 5.196 1 0 EKAFRO CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c1ncnc2N ZINC000026283201 581097583 /nfs/dbraw/zinc/09/75/83/581097583.db2.gz GTLYPMCHYLJPTD-UHFFFAOYSA-N 1 0 344.418 5.054 1 0 EKAFRO Clc1ccc2sc(C3=CC[N@H+](Cc4ccccc4)CC3)nc2c1 ZINC000026285220 202141728 /nfs/dbraw/zinc/14/17/28/202141728.db2.gz ZDICBICTFYTIFR-UHFFFAOYSA-N 1 0 340.879 5.239 1 0 EKAFRO C[NH+](C)CCSc1nc2ccccc2cc1-c1ccc(Cl)cc1 ZINC000026376577 202142065 /nfs/dbraw/zinc/14/20/65/202142065.db2.gz BOWJXHWMIHYCPV-UHFFFAOYSA-N 1 0 342.895 5.209 1 0 EKAFRO CC[NH+](CC)CCSc1nc2ccccc2cc1-c1ccccc1 ZINC000026376826 212516957 /nfs/dbraw/zinc/51/69/57/212516957.db2.gz PNUQRWZCLQJCOF-UHFFFAOYSA-N 1 0 336.504 5.336 1 0 EKAFRO Cc1c2ccccc2nc(SCC[NH+](C)C)c1-c1ccc(F)cc1 ZINC000026377134 202143221 /nfs/dbraw/zinc/14/32/21/202143221.db2.gz ZTSPMUGCWAVOLM-UHFFFAOYSA-N 1 0 340.467 5.003 1 0 EKAFRO C[NH+](C)CCNc1cc(Cl)ccc1Sc1ccc(Cl)cc1 ZINC000026487200 202144373 /nfs/dbraw/zinc/14/43/73/202144373.db2.gz LTQFJIXKCLEBFC-UHFFFAOYSA-N 1 0 341.307 5.118 1 0 EKAFRO [NH2+]=C(Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F ZINC000026489065 202143895 /nfs/dbraw/zinc/14/38/95/202143895.db2.gz GCDIAKOXXFRRPE-UHFFFAOYSA-N 1 0 347.262 5.183 1 0 EKAFRO [NH2+]=C(Nc1ccccc1-c1ccccc1)Nc1cccc2ccccc21 ZINC000026490783 202143465 /nfs/dbraw/zinc/14/34/65/202143465.db2.gz MFNVQXXBOMHUHH-UHFFFAOYSA-N 1 0 337.426 5.966 1 0 EKAFRO [NH2+]=C(Nc1ccccc1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000026493867 212522111 /nfs/dbraw/zinc/52/21/11/212522111.db2.gz CXFLGSOEVKCMNO-UHFFFAOYSA-N 1 0 345.490 5.259 1 0 EKAFRO CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(C(CC)CC)cc1)[N@H+]2C ZINC000026572733 202145614 /nfs/dbraw/zinc/14/56/14/202145614.db2.gz QRTMYRXFCOZLFS-XWSHUIEDSA-N 1 0 327.512 5.136 1 0 EKAFRO CC1=C(c2ccc(O)cc2)[C@@H](CCCCCC[NH3+])c2ccc(O)cc21 ZINC000026578864 202144844 /nfs/dbraw/zinc/14/48/44/202144844.db2.gz SQHZZYRZGACALB-FQEVSTJZSA-N 1 0 337.463 5.035 1 0 EKAFRO CC1=C(c2ccc(O)cc2)[C@H](CCCCCC[NH3+])c2ccc(O)cc21 ZINC000026578865 202145589 /nfs/dbraw/zinc/14/55/89/202145589.db2.gz SQHZZYRZGACALB-HXUWFJFHSA-N 1 0 337.463 5.035 1 0 EKAFRO c1ccc2c(c1)CCc1ccccc1N2CCCCC[NH+]1CCCC1 ZINC000026663312 212528732 /nfs/dbraw/zinc/52/87/32/212528732.db2.gz FBBXCBZJFUPNFQ-UHFFFAOYSA-N 1 0 334.507 5.189 1 0 EKAFRO CSc1ccc([C@H]2C[N@@H+]3CCC[C@H]3c3c(Cl)cccc32)cc1 ZINC000026668190 202146867 /nfs/dbraw/zinc/14/68/67/202146867.db2.gz TXNKGWKKEXRIAI-AEFFLSMTSA-N 1 0 329.896 5.344 1 0 EKAFRO CSc1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3c(Cl)cccc32)cc1 ZINC000026668446 202146449 /nfs/dbraw/zinc/14/64/49/202146449.db2.gz TXNKGWKKEXRIAI-FUHWJXTLSA-N 1 0 329.896 5.344 1 0 EKAFRO CC[C@@H](C)c1ccc(N2C(=[NH2+])NC[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000026822926 202149229 /nfs/dbraw/zinc/14/92/29/202149229.db2.gz KTRUNALIHOBCOJ-IERDGZPVSA-N 1 0 335.495 5.200 1 0 EKAFRO CC[C@H](C)c1ccc(N2C(=[NH2+])NC[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000026822930 202148521 /nfs/dbraw/zinc/14/85/21/202148521.db2.gz KTRUNALIHOBCOJ-KKSFZXQISA-N 1 0 335.495 5.200 1 0 EKAFRO C[N@H+](CCc1ccccc1)[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000026827045 202149039 /nfs/dbraw/zinc/14/90/39/202149039.db2.gz FVMDCJNCPHANNG-NOZRDPDXSA-N 1 0 341.498 5.308 1 0 EKAFRO c1ccc(CCC[NH2+][C@@H]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000026828895 212536185 /nfs/dbraw/zinc/53/61/85/212536185.db2.gz DLHHIMFCIUQZER-NOZRDPDXSA-N 1 0 341.498 5.356 1 0 EKAFRO C[NH+](C)C[C@@H]1CC[C@@H](C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1 ZINC000026986824 212543588 /nfs/dbraw/zinc/54/35/88/212543588.db2.gz IOEICCJZXSKQEL-VXPIKJJWSA-N 1 0 337.551 5.574 1 0 EKAFRO C[NH+](C)C[C@@H]1CC[C@H](C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccccc1 ZINC000026986827 202151188 /nfs/dbraw/zinc/15/11/88/202151188.db2.gz IOEICCJZXSKQEL-CDWFLDLYSA-N 1 0 337.551 5.574 1 0 EKAFRO c1csc(CCCC[N@H+]2[C@@H]3CC[C@H]2Cc2[nH]c4ccccc4c23)c1 ZINC000027104521 202151837 /nfs/dbraw/zinc/15/18/37/202151837.db2.gz MVZQFWPPZDOLHW-MGPUTAFESA-N 1 0 336.504 5.314 1 0 EKAFRO Cn1c2ccccc2c2c1C[C@@H]1CC[C@H]2[N@H+]1CCCCc1ccccc1 ZINC000027105453 202151680 /nfs/dbraw/zinc/15/16/80/202151680.db2.gz WSPJJPNQUVUIAC-SIKLNZKXSA-N 1 0 344.502 5.263 1 0 EKAFRO [NH2+]=C1CCCCCCCCCCCN1[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000027299631 202153688 /nfs/dbraw/zinc/15/36/88/202153688.db2.gz PHSYVYPNRCSHQN-FGZHOGPDSA-N 1 0 340.555 6.517 1 0 EKAFRO CCC[NH+](CCC)[C@H]1CCc2cc(CCc3ccccc3)ccc2C1 ZINC000027331126 202154128 /nfs/dbraw/zinc/15/41/28/202154128.db2.gz HCNYNWZHRZQZAX-DEOSSOPVSA-N 1 0 335.535 5.451 1 0 EKAFRO C[NH+](C)C1(c2ccc(Cl)cc2)CCC(O)(CCC2CCCC2)CC1 ZINC000027405885 212556339 /nfs/dbraw/zinc/55/63/39/212556339.db2.gz OFYLQLHUQGLKBY-UHFFFAOYSA-N 1 0 349.946 5.372 1 0 EKAFRO CCCCOc1ccc([C@H]2c3ccccc3[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000027432593 202154846 /nfs/dbraw/zinc/15/48/46/202154846.db2.gz LBWRHJNPYLEEKR-RJGXRXQPSA-N 1 0 335.491 5.394 1 0 EKAFRO C[NH2+][C@@H](C)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000027441341 201062524 /nfs/dbraw/zinc/06/25/24/201062524.db2.gz BXZCGDYGWHAPIP-DNHGYLRESA-N 1 0 343.555 5.108 1 0 EKAFRO CCCCOc1ccc([C@@H]2c3ccccc3[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000027442880 202155305 /nfs/dbraw/zinc/15/53/05/202155305.db2.gz LBWRHJNPYLEEKR-YTFSRNRJSA-N 1 0 335.491 5.394 1 0 EKAFRO CSc1ccc2c(c1)[C@@H](SCC[NH+](C)C)Cc1ccccc1O2 ZINC000027554326 202155803 /nfs/dbraw/zinc/15/58/03/202155803.db2.gz OWVYTMCRJKKBAS-IBGZPJMESA-N 1 0 345.533 5.093 1 0 EKAFRO CC[NH+](CC)CCS[C@@H]1Cc2ccccc2Oc2ccccc21 ZINC000027556032 212564312 /nfs/dbraw/zinc/56/43/12/212564312.db2.gz ZLNOSYSAPKRDEO-HXUWFJFHSA-N 1 0 327.493 5.151 1 0 EKAFRO CCC[N@@H+](c1ccnc2cc(Cl)ccc21)n1ccc2ccccc21 ZINC000027639284 202159119 /nfs/dbraw/zinc/15/91/19/202159119.db2.gz CNMILBJXRPMDFH-UHFFFAOYSA-N 1 0 335.838 5.523 1 0 EKAFRO CCC[C@@]1(c2ccccc2)OC2(CCC([NH+](C)C)CC2)c2ccccc21 ZINC000027711956 212573768 /nfs/dbraw/zinc/57/37/68/212573768.db2.gz ONBIEUZATWULEM-BOYUCYPVSA-N 1 0 349.518 5.460 1 0 EKAFRO C[NH+](C)C1CCC2(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccc12 ZINC000027719646 212573844 /nfs/dbraw/zinc/57/38/44/212573844.db2.gz HBLUFYAYBNIHDN-SGDIKTSBSA-N 1 0 341.882 5.159 1 0 EKAFRO C[NH+](C)C1CCC2(CC1)O[C@H](c1ccc(Cl)cc1)c1ccccc12 ZINC000027719652 212574197 /nfs/dbraw/zinc/57/41/97/212574197.db2.gz HBLUFYAYBNIHDN-TWMPVWRBSA-N 1 0 341.882 5.159 1 0 EKAFRO FC(F)(F)c1cccc([C@H]2SC3(CC[NH2+]CC3)c3ccccc32)c1 ZINC000027870073 202161987 /nfs/dbraw/zinc/16/19/87/202161987.db2.gz YMWBTHSZJPLXTK-QGZVFWFLSA-N 1 0 349.421 5.120 1 0 EKAFRO C[C@H]1[C@@H]2Cc3cc4c(cc3[C@@]1(C)CC[N@@H+]2CC1CC1)[nH]c1ccccc14 ZINC000027900295 212583486 /nfs/dbraw/zinc/58/34/86/212583486.db2.gz KOODECODLWKEAK-MRDSIPGCSA-N 1 0 344.502 5.255 1 0 EKAFRO C[NH+]1CCC2(CN(c3ccccc3Cl)c3cc(Cl)ccc32)CC1 ZINC000028094583 202165836 /nfs/dbraw/zinc/16/58/36/202165836.db2.gz QHFWGPNLLRPTQS-UHFFFAOYSA-N 1 0 347.289 5.109 1 0 EKAFRO Fc1cccc(CCC2=[NH+][C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 ZINC000028119538 202165779 /nfs/dbraw/zinc/16/57/79/202165779.db2.gz FEOPHJDOPNEXKE-ZRZAMGCNSA-N 1 0 344.433 5.243 1 0 EKAFRO Fc1ccc(CCC2=[NH+][C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1 ZINC000028119545 202165104 /nfs/dbraw/zinc/16/51/04/202165104.db2.gz JRCXDDVPFVHGRS-ZRZAMGCNSA-N 1 0 344.433 5.243 1 0 EKAFRO Fc1ccccc1CCC1=[NH+][C@H](c2ccccc2)[C@H](c2ccccc2)N1 ZINC000028119912 202166024 /nfs/dbraw/zinc/16/60/24/202166024.db2.gz BJMYKJMKKNFOSC-ZRZAMGCNSA-N 1 0 344.433 5.243 1 0 EKAFRO Clc1cccc(CC2=[NH+][C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 ZINC000028120578 202165773 /nfs/dbraw/zinc/16/57/73/202165773.db2.gz NZYOALOBSMXQRZ-SZPZYZBQSA-N 1 0 346.861 5.367 1 0 EKAFRO C[C@@H](Cc1ccccc1)C1=[NH+][C@@H](c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000028124276 202165673 /nfs/dbraw/zinc/16/56/73/202165673.db2.gz JFCKACVLYQVVKW-OFAXGOBFSA-N 1 0 340.470 5.350 1 0 EKAFRO c1ccc2c(c1)Oc1ccccc1C2[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000028230729 202166431 /nfs/dbraw/zinc/16/64/31/202166431.db2.gz UECUFYZWHKPDAS-LJQANCHMSA-N 1 0 328.415 5.114 1 0 EKAFRO c1ccc(C[N@@H+]2CCC3=C(C2)[C@@H](c2ccccc2)c2ccccc23)cc1 ZINC000028263098 202167733 /nfs/dbraw/zinc/16/77/33/202167733.db2.gz WNNUGNUPCHFHOT-VWLOTQADSA-N 1 0 337.466 5.492 1 0 EKAFRO CC(C)Oc1cccc([C@@H]2C[C@@H]2c2ccc3cc(C(N)=[NH2+])ccc3c2)c1 ZINC000028364878 581093994 /nfs/dbraw/zinc/09/39/94/581093994.db2.gz AIYYJNSOLWDMRN-FCHUYYIVSA-N 1 0 344.458 5.182 1 0 EKAFRO CC(C)Oc1cccc([C@H]2C[C@@H]2c2ccc3cc(C(N)=[NH2+])ccc3c2)c1 ZINC000028364886 581093895 /nfs/dbraw/zinc/09/38/95/581093895.db2.gz AIYYJNSOLWDMRN-FGZHOGPDSA-N 1 0 344.458 5.182 1 0 EKAFRO Cc1cc(C(C)(C)C)cc(C)c1CC1=[NH+]CCN1Cc1ccccc1 ZINC000028391308 212618273 /nfs/dbraw/zinc/61/82/73/212618273.db2.gz PQQRKPXQTFWJHH-UHFFFAOYSA-N 1 0 334.507 5.058 1 0 EKAFRO Cc1cc(-c2cc(C3CC[NH+](C)CC3)[nH]c2-c2ccc(F)cc2)ccn1 ZINC000028472243 202171158 /nfs/dbraw/zinc/17/11/58/202171158.db2.gz AUOITMPSLFBTFB-UHFFFAOYSA-N 1 0 349.453 5.000 1 0 EKAFRO CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000028568006 212624776 /nfs/dbraw/zinc/62/47/76/212624776.db2.gz STAHNRBMYYBQQC-QTGUNEKASA-N 1 0 337.507 5.361 1 0 EKAFRO CCCCCC[N@@H+]1C[C@H](C)[C@](C)(c2cccc(O)c2)C[C@H]1CCC ZINC000028568330 202172700 /nfs/dbraw/zinc/17/27/00/202172700.db2.gz CWLAOZOVCXCXKJ-CZTZKLFOSA-N 1 0 331.544 5.741 1 0 EKAFRO c1ccc(CCc2c(CC[NH+]3CCCCC3)oc3ccccc32)cc1 ZINC000028636580 202173951 /nfs/dbraw/zinc/17/39/51/202173951.db2.gz QLOZPGUYIBBWAL-UHFFFAOYSA-N 1 0 333.475 5.246 1 0 EKAFRO CCCCC[C@H](c1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000028708097 212631585 /nfs/dbraw/zinc/63/15/85/212631585.db2.gz AHZUGQDNSYDLNN-JOCHJYFZSA-N 1 0 337.507 5.292 1 0 in-vivo EKAFRO CCC[NH+](CCC)[C@H]1CCc2cccc(C(=O)C3CCCCC3)c2C1 ZINC000028763212 202176501 /nfs/dbraw/zinc/17/65/01/202176501.db2.gz XHDDGPAXYUVBDO-FQEVSTJZSA-N 1 0 341.539 5.429 1 0 EKAFRO FC1(c2ccc(Cl)cc2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000028878407 212641904 /nfs/dbraw/zinc/64/19/04/212641904.db2.gz HIFGIGWFWSVOEK-UHFFFAOYSA-N 1 0 342.845 5.282 1 0 EKAFRO [NH3+]CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000029134991 202181180 /nfs/dbraw/zinc/18/11/80/202181180.db2.gz MTMAYHULNPMPNW-UHFFFAOYSA-N 1 0 333.500 5.061 1 0 EKAFRO c1ccc(CCCC[N@@H+]2[C@@H]3CCC[C@H]2c2c4ccccc4[nH]c2C3)cc1 ZINC000029251246 202184296 /nfs/dbraw/zinc/18/42/96/202184296.db2.gz OPUKVGUEIVRYRA-XXBNENTESA-N 1 0 344.502 5.643 1 0 EKAFRO C[NH2+][C@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc21 ZINC000029312966 202184566 /nfs/dbraw/zinc/18/45/66/202184566.db2.gz FXIJJIKEXAMLJU-REWPJTCUSA-N 1 0 329.443 5.665 1 0 EKAFRO C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 ZINC000029318561 202183921 /nfs/dbraw/zinc/18/39/21/202183921.db2.gz BSEAIIVNBLDSER-SJCJKPOMSA-N 1 0 339.788 5.545 1 0 EKAFRO C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 ZINC000029320572 212662307 /nfs/dbraw/zinc/66/23/07/212662307.db2.gz BSEAIIVNBLDSER-YVEFUNNKSA-N 1 0 339.788 5.545 1 0 EKAFRO C[NH2+][C@@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc21 ZINC000029323746 202184710 /nfs/dbraw/zinc/18/47/10/202184710.db2.gz FXIJJIKEXAMLJU-NZQKXSOJSA-N 1 0 329.443 5.665 1 0 EKAFRO CC[NH+](CC)CCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000029330202 135743119 /nfs/dbraw/zinc/74/31/19/135743119.db2.gz NUFVNRAUHPTCFH-UHFFFAOYSA-N 1 0 332.900 5.285 1 0 EKAFRO CC[C@H](Nc1[nH+]cc(-c2ccccc2)n1C)c1ccc(Cl)cc1 ZINC000029335147 202185328 /nfs/dbraw/zinc/18/53/28/202185328.db2.gz SKXWHUZZZUAUTR-KRWDZBQOSA-N 1 0 325.843 5.304 1 0 EKAFRO Cc1cc(C)cc(Nc2cc(-n3ccnc3-c3ccccc3)cc[nH+]2)c1 ZINC000029407888 202186521 /nfs/dbraw/zinc/18/65/21/202186521.db2.gz YGYZFNQCPIDEBI-UHFFFAOYSA-N 1 0 340.430 5.295 1 0 EKAFRO C[C@H](C[NH+]1[C@H](C)CCC[C@H]1C)c1cccc(C(=O)c2ccccc2)c1 ZINC000029410119 202186784 /nfs/dbraw/zinc/18/67/84/202186784.db2.gz MSOLWIXKJYSHSW-GUDVDZBRSA-N 1 0 335.491 5.284 1 0 EKAFRO CC(C)(C)[C@@]12CC[N@H+](CCc3ccccc3)[C@@H](Cc3ccccc31)C2 ZINC000029473153 202188151 /nfs/dbraw/zinc/18/81/51/202188151.db2.gz GNRWNWORPLYLAS-XUZZJYLKSA-N 1 0 333.519 5.234 1 0 EKAFRO COc1ccc2c(c1)[C@@H]([NH+](C)C)C[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000029483324 202188102 /nfs/dbraw/zinc/18/81/02/202188102.db2.gz WJBOEJSDTQYWJJ-KSSFIOAISA-N 1 0 336.262 5.140 1 0 EKAFRO CC[NH+](CC)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000029485689 212669239 /nfs/dbraw/zinc/66/92/39/212669239.db2.gz CMPKTAXJJJLOGY-VQIMIIECSA-N 1 0 334.290 5.912 1 0 EKAFRO C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 ZINC000029487699 202187919 /nfs/dbraw/zinc/18/79/19/202187919.db2.gz YDABULYRFHFFMF-XJKSGUPXSA-N 1 0 325.761 5.155 1 0 EKAFRO C[NH2+][C@@H]1C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 ZINC000029487705 212670096 /nfs/dbraw/zinc/67/00/96/212670096.db2.gz YDABULYRFHFFMF-CZUORRHYSA-N 1 0 325.761 5.155 1 0 EKAFRO C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 ZINC000029487708 202187806 /nfs/dbraw/zinc/18/78/06/202187806.db2.gz YDABULYRFHFFMF-CJNGLKHVSA-N 1 0 325.761 5.155 1 0 EKAFRO Clc1ccc([C@H]2C[C@H]([NH+]3CCCCC3)c3ccccc32)cc1Cl ZINC000029487719 212670477 /nfs/dbraw/zinc/67/04/77/212670477.db2.gz QFYBAQPQINYSLW-XLIONFOSSA-N 1 0 346.301 6.056 1 0 EKAFRO Clc1ccc([C@@H]2C[C@H]([NH+]3CCCC3)c3ccccc32)cc1Cl ZINC000029489074 202187748 /nfs/dbraw/zinc/18/77/48/202187748.db2.gz UIVROQLNUFGFCX-LPHOPBHVSA-N 1 0 332.274 5.666 1 0 EKAFRO C[C@H]1CCC[C@H](C)[NH+]1CCC[C@](O)(c1ccccc1)C1CCCCC1 ZINC000029558734 212672776 /nfs/dbraw/zinc/67/27/76/212672776.db2.gz BQCAAQLKCYQZTH-JTAQYXEDSA-N 1 0 343.555 5.498 1 0 EKAFRO COc1c(C)c[nH+]c(CC[C@@]2(C)Nc3cc(Cl)ccc3S2)c1C ZINC000029563631 202189195 /nfs/dbraw/zinc/18/91/95/202189195.db2.gz NQMGUDLJJLXYEB-SFHVURJKSA-N 1 0 348.899 5.227 1 0 EKAFRO C[NH2+]CCS[C@H]1Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000034175208 202272840 /nfs/dbraw/zinc/27/28/40/202272840.db2.gz YLLOMNULLDISSE-KRWDZBQOSA-N 1 0 335.925 5.041 1 0 EKAFRO Clc1ccc([C@H](CCCc2ccccc2)[C@@H]2CCCC[NH2+]2)cc1 ZINC000035090459 213008538 /nfs/dbraw/zinc/00/85/38/213008538.db2.gz FZAYBHQQLZFDLP-SFTDATJTSA-N 1 0 327.899 5.589 1 0 in-vitro EKAFRO Clc1ccc([C@@H](CCCc2ccccc2)[C@@H]2CCCC[NH2+]2)cc1 ZINC000035090461 213007699 /nfs/dbraw/zinc/00/76/99/213007699.db2.gz FZAYBHQQLZFDLP-RTWAWAEBSA-N 1 0 327.899 5.589 1 0 in-vitro EKAFRO Clc1ccc([C@H](CCCc2ccccc2)[C@H]2CCCC[NH2+]2)cc1 ZINC000035090463 213008285 /nfs/dbraw/zinc/00/82/85/213008285.db2.gz FZAYBHQQLZFDLP-LEWJYISDSA-N 1 0 327.899 5.589 1 0 in-vitro EKAFRO Clc1ccc([C@@H](CCCc2ccccc2)[C@H]2CCCC[NH2+]2)cc1 ZINC000035090465 213007655 /nfs/dbraw/zinc/00/76/55/213007655.db2.gz FZAYBHQQLZFDLP-NHCUHLMSSA-N 1 0 327.899 5.589 1 0 in-vitro EKAFRO CC(C)[C@@H](c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1)[NH+](C)C ZINC000036161031 213074867 /nfs/dbraw/zinc/07/48/67/213074867.db2.gz VSFMHPZXLZUXGT-NRFANRHFSA-N 1 0 337.442 5.142 1 0 EKAFRO CC(C)[C@H](c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1)[NH+](C)C ZINC000036161035 213074831 /nfs/dbraw/zinc/07/48/31/213074831.db2.gz VSFMHPZXLZUXGT-OAQYLSRUSA-N 1 0 337.442 5.142 1 0 EKAFRO C[N@@H+]1CCCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036161054 213073800 /nfs/dbraw/zinc/07/38/00/213073800.db2.gz RDCAIAQIDQZKDR-HXUWFJFHSA-N 1 0 335.426 5.040 1 0 EKAFRO C[N@@H+]1CCCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036161059 202317998 /nfs/dbraw/zinc/31/79/98/202317998.db2.gz RDCAIAQIDQZKDR-FQEVSTJZSA-N 1 0 335.426 5.040 1 0 EKAFRO c1ccc(C[N@@H+]2CCc3ccc4sc5ccccc5c4c3C2)cc1 ZINC000036216433 213077395 /nfs/dbraw/zinc/07/73/95/213077395.db2.gz NMEQBCGQBVHYSA-UHFFFAOYSA-N 1 0 329.468 5.613 1 0 EKAFRO c1[nH]c2ncccc2c1C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000036221500 202318813 /nfs/dbraw/zinc/31/88/13/202318813.db2.gz OIAARQYDFVPWDI-UHFFFAOYSA-N 1 0 341.458 5.096 1 0 EKAFRO c1[nH]c2ncccc2c1C1CC[NH+](CC2CCCCCCC2)CC1 ZINC000036221507 213076771 /nfs/dbraw/zinc/07/67/71/213076771.db2.gz PMTRYEMIYDPQRC-UHFFFAOYSA-N 1 0 325.500 5.103 1 0 EKAFRO Fc1ccc2[nH]cc(C3CC[NH+](CC4CCCCCCC4)CC3)c2c1 ZINC000036221547 213077669 /nfs/dbraw/zinc/07/76/69/213077669.db2.gz BBBYVYIYJFRBCC-UHFFFAOYSA-N 1 0 342.502 5.847 1 0 EKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(C(C)(C)C)no2)[N@@H+]3C)cc1 ZINC000036271707 213080413 /nfs/dbraw/zinc/08/04/13/213080413.db2.gz OEUNHOYSAHYKJP-OEMYIYORSA-N 1 0 338.495 5.014 1 0 EKAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(C(C)(C)C)no2)[N@@H+]3C)cc1 ZINC000036271710 213079960 /nfs/dbraw/zinc/07/99/60/213079960.db2.gz OEUNHOYSAHYKJP-DCXXXQMHSA-N 1 0 338.495 5.014 1 0 EKAFRO c1ccc(Cn2c3ccccc3c3cc[n+](Cc4ccccc4)cc32)cc1 ZINC000038239737 213206374 /nfs/dbraw/zinc/20/63/74/213206374.db2.gz JYQLLKLZPAPUPW-UHFFFAOYSA-N 1 0 349.457 5.179 1 0 EKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](/C=C\c1ccccc1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000038493464 213211031 /nfs/dbraw/zinc/21/10/31/213211031.db2.gz VQILFFVIWGYQHG-BPYMKQLFSA-N 1 0 337.894 5.620 1 0 EKAFRO [NH3+]CCCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000038563038 213215295 /nfs/dbraw/zinc/21/52/95/213215295.db2.gz SHXYOOWNQCXHIT-UHFFFAOYSA-N 1 0 338.398 5.047 1 0 EKAFRO CC(C)=CCC/C(C)=C/CN(C/C=C(\C)CCC=C(C)C)C(N)=[NH2+] ZINC000038783550 213225497 /nfs/dbraw/zinc/22/54/97/213225497.db2.gz ZEAAMJFQDIQIDJ-IWGRKNQJSA-N 1 0 331.548 5.567 1 0 EKAFRO c1cc(-c2ccc(Cc3ccc(OC[C@H]4CCC[NH2+]4)cc3)cc2)cs1 ZINC000038792204 581092056 /nfs/dbraw/zinc/09/20/56/581092056.db2.gz SQTQDPVUMYCCFJ-OAQYLSRUSA-N 1 0 349.499 5.137 1 0 EKAFRO C[NH+]1CCC(=C2c3ccccc3-c3cocc3-c3ccccc32)CC1 ZINC000039215291 213231338 /nfs/dbraw/zinc/23/13/38/213231338.db2.gz MHSYODWGVROAKD-UHFFFAOYSA-N 1 0 327.427 5.455 1 0 EKAFRO Cc1occ2c1-c1ccccc1C(=C1CC[NH+](C)CC1)c1ccccc1-2 ZINC000039215292 213231667 /nfs/dbraw/zinc/23/16/67/213231667.db2.gz ZHSOHJFZYPTQPN-UHFFFAOYSA-N 1 0 341.454 5.763 1 0 EKAFRO Clc1ccc2sc(-c3ccccc3)c(CC[NH+]3CCCC3)c2c1 ZINC000039223361 213232534 /nfs/dbraw/zinc/23/25/34/213232534.db2.gz CACSKFLZBNLNGM-UHFFFAOYSA-N 1 0 341.907 5.860 1 0 EKAFRO C[NH+](C)CCSC1=Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000039291683 213232734 /nfs/dbraw/zinc/23/27/34/213232734.db2.gz JGFGBIYSEHXJHX-UHFFFAOYSA-N 1 0 347.936 5.598 1 0 EKAFRO C[NH2+]CCSC1=Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000039291701 213232714 /nfs/dbraw/zinc/23/27/14/213232714.db2.gz LPJMGCSJWIYZBP-UHFFFAOYSA-N 1 0 333.909 5.255 1 0 EKAFRO C[C@H](NC1=[NH+]CCCCC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000039369526 213234745 /nfs/dbraw/zinc/23/47/45/213234745.db2.gz PITQSMWCUJOCHW-INIZCTEOSA-N 1 0 340.555 5.831 1 0 EKAFRO C[C@@H](NC1=[NH+]CCCCC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C ZINC000039369528 202412255 /nfs/dbraw/zinc/41/22/55/202412255.db2.gz PITQSMWCUJOCHW-MRXNPFEDSA-N 1 0 340.555 5.831 1 0 EKAFRO c1ccc([C@H]([C@@H](c2ccccc2)[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000040148546 213272745 /nfs/dbraw/zinc/27/27/45/213272745.db2.gz MTYFDEYZRYWPAI-DNQXCXABSA-N 1 0 348.534 5.441 1 0 EKAFRO C[NH2+]CC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc21 ZINC000040379022 213292936 /nfs/dbraw/zinc/29/29/36/213292936.db2.gz NKIBKNOODDQPIA-CYBMUJFWSA-N 1 0 333.262 5.216 1 0 EKAFRO C[NH2+]Cc1cc(F)c(Cl)cc1Oc1ccc(Cl)c(Cl)c1 ZINC000040380195 213294795 /nfs/dbraw/zinc/29/47/95/213294795.db2.gz COWKMDDTQXILJL-UHFFFAOYSA-N 1 0 334.605 5.298 1 0 EKAFRO C[NH2+]CC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000040393656 213297076 /nfs/dbraw/zinc/29/70/76/213297076.db2.gz BEJKUIRPKMIZPE-QGZVFWFLSA-N 1 0 344.285 5.888 1 0 EKAFRO C[n+]1ccccc1/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000040395602 202438078 /nfs/dbraw/zinc/43/80/78/202438078.db2.gz RKUCXCRONYMREG-VOTSOKGWSA-N 1 0 331.222 5.248 1 0 EKAFRO c1ccc2sc(Oc3ccc(CC[NH+]4CCCCC4)cc3)nc2c1 ZINC000040395791 202437952 /nfs/dbraw/zinc/43/79/52/202437952.db2.gz DHHMVJVCMLXZBO-UHFFFAOYSA-N 1 0 338.476 5.117 1 0 in-vivo EKAFRO Cc1c(O[C@@H](C)c2cccc(Cl)c2)cccc1C1CC[NH2+]CC1 ZINC000040409861 213299989 /nfs/dbraw/zinc/29/99/89/213299989.db2.gz ASYJGQCBUDDSFS-HNNXBMFYSA-N 1 0 329.871 5.255 1 0 EKAFRO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(Cl)cc3Cl)c2c1 ZINC000040424987 213302268 /nfs/dbraw/zinc/30/22/68/213302268.db2.gz HYLSMTQFXZQVOE-UHFFFAOYSA-N 1 0 347.245 5.992 1 0 EKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000040434390 213304457 /nfs/dbraw/zinc/30/44/57/213304457.db2.gz BQCAAQLKCYQZTH-ZRCGQRJVSA-N 1 0 343.555 5.498 1 0 EKAFRO C[C@H]1CCC[C@H](C)[NH+]1CCC[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000040434392 213303613 /nfs/dbraw/zinc/30/36/13/213303613.db2.gz BQCAAQLKCYQZTH-SXWKCWPCSA-N 1 0 343.555 5.498 1 0 EKAFRO Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1C[NH+]1CCCC1 ZINC000040556686 213351220 /nfs/dbraw/zinc/35/12/20/213351220.db2.gz FRDWFEKCRQOMNO-UHFFFAOYSA-N 1 0 338.234 5.087 1 0 EKAFRO Cc1ccc2c(c1C)C[N@@H+](CCc1ccccc1)C[C@@H]2c1ccccc1 ZINC000040556716 213351030 /nfs/dbraw/zinc/35/10/30/213351030.db2.gz AQIANVVPEXKNAN-RUZDIDTESA-N 1 0 341.498 5.494 1 0 EKAFRO CCC(=O)c1ccc2c(c1)/C(=C\CC[NH+](C)C)c1ccccc1S2 ZINC000040720171 213375041 /nfs/dbraw/zinc/37/50/41/213375041.db2.gz QKEBFJXALZOKOL-SXGWCWSVSA-N 1 0 337.488 5.127 1 0 EKAFRO Clc1cccc(CCNc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000040822771 213390341 /nfs/dbraw/zinc/39/03/41/213390341.db2.gz SWCOEICIIYHDQX-UHFFFAOYSA-N 1 0 336.866 5.422 1 0 EKAFRO C[n+]1c(/C=C/c2ccc(-c3cccc(Cl)c3)o2)ccc2ccccc21 ZINC000040827990 213391311 /nfs/dbraw/zinc/39/13/11/213391311.db2.gz PYAFYCSTGHFFAS-VAWYXSNFSA-N 1 0 346.837 5.748 1 0 EKAFRO C[NH2+]CC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc21 ZINC000040835272 213391324 /nfs/dbraw/zinc/39/13/24/213391324.db2.gz NKIBKNOODDQPIA-ZDUSSCGKSA-N 1 0 333.262 5.216 1 0 EKAFRO C[NH2+]Cc1ccc(Cl)cc1Oc1ccc(F)c(C(F)(F)F)c1 ZINC000040845428 213392671 /nfs/dbraw/zinc/39/26/71/213392671.db2.gz GHUHMNXJEGXLAR-UHFFFAOYSA-N 1 0 333.712 5.010 1 0 EKAFRO Cc1ccc(C[N@H+](C2CCCC2)[C@@H]2CCC(=O)c3ccccc32)cc1 ZINC000040847336 213393256 /nfs/dbraw/zinc/39/32/56/213393256.db2.gz RXHLAALOQHJKHJ-JOCHJYFZSA-N 1 0 333.475 5.457 1 0 EKAFRO Cc1ccc(C[N@H+](C2CCCC2)[C@H]2CCC(=O)c3ccccc32)cc1 ZINC000040847338 213392797 /nfs/dbraw/zinc/39/27/97/213392797.db2.gz RXHLAALOQHJKHJ-QFIPXVFZSA-N 1 0 333.475 5.457 1 0 EKAFRO C[NH2+]CCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc21 ZINC000040861960 213394733 /nfs/dbraw/zinc/39/47/33/213394733.db2.gz GGHVSJLGVRNPQI-AWEZNQCLSA-N 1 0 347.289 5.606 1 0 EKAFRO C[n+]1ccccc1/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000040873159 213396103 /nfs/dbraw/zinc/39/61/03/213396103.db2.gz SCMBZRXSKZVROZ-VOTSOKGWSA-N 1 0 331.222 5.248 1 0 EKAFRO C[n+]1ccccc1/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000040879022 213397811 /nfs/dbraw/zinc/39/78/11/213397811.db2.gz CVORWCXSRANFCH-VOTSOKGWSA-N 1 0 331.222 5.248 1 0 EKAFRO CCn1c2cc[nH+]cc2c2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000040881428 213397297 /nfs/dbraw/zinc/39/72/97/213397297.db2.gz KTGUQWICDSZKDX-UHFFFAOYSA-N 1 0 349.821 5.115 1 0 EKAFRO Cc1c(O[C@H](C)c2cccc(Cl)c2)cccc1C1CC[NH2+]CC1 ZINC000040939740 213402307 /nfs/dbraw/zinc/40/23/07/213402307.db2.gz ASYJGQCBUDDSFS-OAHLLOKOSA-N 1 0 329.871 5.255 1 0 EKAFRO CCCCCCOc1cc(Cl)c(C(=O)CC[NH+](C)C)c(Cl)c1 ZINC000043013435 581093890 /nfs/dbraw/zinc/09/38/90/581093890.db2.gz WOYFBAZSRVABGK-UHFFFAOYSA-N 1 0 346.298 5.087 1 0 EKAFRO CCCCCCOc1cc(Cl)c(C(=O)CC[NH+](C)C)cc1Cl ZINC000043060305 581093951 /nfs/dbraw/zinc/09/39/51/581093951.db2.gz BSXKQZASVPAQPC-UHFFFAOYSA-N 1 0 346.298 5.087 1 0 EKAFRO CC[NH2+]Cc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000045201418 213713940 /nfs/dbraw/zinc/71/39/40/213713940.db2.gz ZDJZXSSMWJDRFE-UHFFFAOYSA-N 1 0 327.431 5.006 1 0 EKAFRO FCCC[C@@H]1OC2(CC[NH+](CC3CCCCC3)CC2)c2ccccc21 ZINC000045320675 213724702 /nfs/dbraw/zinc/72/47/02/213724702.db2.gz NWOOQMRIUHZAOU-NRFANRHFSA-N 1 0 345.502 5.379 1 0 EKAFRO FCCC[C@H]1OC2(CC[NH+](CC3CCCCC3)CC2)c2ccccc21 ZINC000045320679 213724998 /nfs/dbraw/zinc/72/49/98/213724998.db2.gz NWOOQMRIUHZAOU-OAQYLSRUSA-N 1 0 345.502 5.379 1 0 EKAFRO CC(C)c1ccc(C[NH2+]CC[C@H](c2ccco2)c2ccccc2)cc1 ZINC000049034197 213978986 /nfs/dbraw/zinc/97/89/86/213978986.db2.gz DCKSTBSETURYFX-QFIPXVFZSA-N 1 0 333.475 5.715 1 0 EKAFRO C[C@H](c1c2ccccc2sc1CC[NH+]1CCCC1)c1ccccn1 ZINC000049072681 202615316 /nfs/dbraw/zinc/61/53/16/202615316.db2.gz GDVOQNXWYQVYJH-INIZCTEOSA-N 1 0 336.504 5.086 1 0 EKAFRO Cc1ccc([C@@H]2Cc3ccccc3[NH+]=C(c3ccccc3)N2C)cc1 ZINC000049616017 214022788 /nfs/dbraw/zinc/02/27/88/214022788.db2.gz RIDODIRIOLRCAA-QFIPXVFZSA-N 1 0 326.443 5.303 1 0 EKAFRO Cc1ccc([C@H]2Cc3ccccc3[NH+]=C(c3ccccc3)N2C)cc1 ZINC000049616018 214022974 /nfs/dbraw/zinc/02/29/74/214022974.db2.gz RIDODIRIOLRCAA-JOCHJYFZSA-N 1 0 326.443 5.303 1 0 EKAFRO CN1C(c2ccccc2)=[NH+]c2ccccc2C[C@H]1c1ccc(F)cc1 ZINC000049616180 214022419 /nfs/dbraw/zinc/02/24/19/214022419.db2.gz FJFBHWSSMKSEGM-NRFANRHFSA-N 1 0 330.406 5.133 1 0 EKAFRO CN1C(c2ccccc2)=[NH+]c2ccccc2C[C@@H]1c1ccc(F)cc1 ZINC000049616182 214022236 /nfs/dbraw/zinc/02/22/36/214022236.db2.gz FJFBHWSSMKSEGM-OAQYLSRUSA-N 1 0 330.406 5.133 1 0 EKAFRO COc1ccc([C@@H]2Cc3ccccc3[NH+]=C(c3ccccc3)N2C)cc1 ZINC000049625867 214022635 /nfs/dbraw/zinc/02/26/35/214022635.db2.gz IFNDDKOQSXJXPR-QFIPXVFZSA-N 1 0 342.442 5.003 1 0 EKAFRO COc1ccc([C@H]2Cc3ccccc3[NH+]=C(c3ccccc3)N2C)cc1 ZINC000049625868 214022625 /nfs/dbraw/zinc/02/26/25/214022625.db2.gz IFNDDKOQSXJXPR-JOCHJYFZSA-N 1 0 342.442 5.003 1 0 EKAFRO CN1C(c2ccccc2)=[NH+]c2ccccc2C[C@H]1c1ccc(Cl)cc1 ZINC000049639738 214023940 /nfs/dbraw/zinc/02/39/40/214023940.db2.gz FGCYFIUERHLCCY-NRFANRHFSA-N 1 0 346.861 5.648 1 0 EKAFRO CN1C(c2ccccc2)=[NH+]c2ccccc2C[C@@H]1c1ccc(Cl)cc1 ZINC000049639739 214023984 /nfs/dbraw/zinc/02/39/84/214023984.db2.gz FGCYFIUERHLCCY-OAQYLSRUSA-N 1 0 346.861 5.648 1 0 EKAFRO CSc1ccc(C[C@@H](C)[NH2+][C@@H](C)Cc2ccc(SC)cc2)cc1 ZINC000049803605 214033106 /nfs/dbraw/zinc/03/31/06/214033106.db2.gz CCIYCSAEJVZXQO-IYBDPMFKSA-N 1 0 345.577 5.282 1 0 EKAFRO CSc1ccc(C[C@@H](C)[NH2+][C@H](C)Cc2ccc(SC)cc2)cc1 ZINC000049803606 214032978 /nfs/dbraw/zinc/03/29/78/214032978.db2.gz CCIYCSAEJVZXQO-HZPDHXFCSA-N 1 0 345.577 5.282 1 0 EKAFRO c1ccc2c(c1)Sc1ccccc1N2CCCC[NH+]1CCCCC1 ZINC000053156519 132186564 /nfs/dbraw/zinc/18/65/64/132186564.db2.gz DWTXADQCLUHMRS-UHFFFAOYSA-N 1 0 338.520 5.555 1 0 EKAFRO S=c1cc(-c2ccc(OCC[NH+]3CCCCC3)cc2)ss1 ZINC000053243591 214172591 /nfs/dbraw/zinc/17/25/91/214172591.db2.gz JNDIPRUEFOVVMH-UHFFFAOYSA-N 1 0 337.535 5.071 1 0 EKAFRO CC(C)(C)CC[C@@]1(C(=O)c2cc(F)c(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000058581028 202771333 /nfs/dbraw/zinc/77/13/33/202771333.db2.gz BINJCVHVYJSTMI-QGZVFWFLSA-N 1 0 346.273 5.121 1 0 EKAFRO CC(C)(C)CC[C@@]1(C(=O)c2cc(Cl)c(Cl)s2)CC[NH2+]C1 ZINC000058582887 214596886 /nfs/dbraw/zinc/59/68/86/214596886.db2.gz AIGSBZFJFSQVPD-OAHLLOKOSA-N 1 0 334.312 5.044 1 0 EKAFRO C[NH2+]C(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1 ZINC000060222810 214630670 /nfs/dbraw/zinc/63/06/70/214630670.db2.gz JNWJYLOJXYRESX-UHFFFAOYSA-N 1 0 325.349 5.025 1 0 EKAFRO C[NH2+]C(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccc(C)cc2)cc1 ZINC000060222883 214630497 /nfs/dbraw/zinc/63/04/97/214630497.db2.gz PQBPAEXWNYJAOG-UHFFFAOYSA-N 1 0 339.376 5.333 1 0 EKAFRO Oc1cccc([C@]23CCC[C@H](C2)[N@H+](C[C@@H]2C[C@H]2c2ccccc2)CC3)c1 ZINC000066074819 215006160 /nfs/dbraw/zinc/00/61/60/215006160.db2.gz BJIZSNKTBYAOCG-ZXHYAQOVSA-N 1 0 347.502 5.082 1 0 EKAFRO Oc1cccc([C@@]23CCC[C@@H](C2)[N@H+](C[C@H]2C[C@@H]2c2ccccc2)CC3)c1 ZINC000066074822 215006724 /nfs/dbraw/zinc/00/67/24/215006724.db2.gz BJIZSNKTBYAOCG-NZRJUOQRSA-N 1 0 347.502 5.082 1 0 EKAFRO Oc1cccc([C@]23CCC[C@H](C2)[N@H+](C[C@H]2C[C@@H]2c2ccccc2)CC3)c1 ZINC000066074824 215006977 /nfs/dbraw/zinc/00/69/77/215006977.db2.gz BJIZSNKTBYAOCG-LPHRJVMESA-N 1 0 347.502 5.082 1 0 EKAFRO C[NH2+][C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000066076351 215006875 /nfs/dbraw/zinc/00/68/75/215006875.db2.gz POKCWLLPLOIIOW-QGZVFWFLSA-N 1 0 328.327 5.829 1 0 EKAFRO CC(C)C[C@H]([NH+](C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000066078396 215006095 /nfs/dbraw/zinc/00/60/95/215006095.db2.gz PKNHHRUELROULR-SFHVURJKSA-N 1 0 342.354 6.172 1 0 EKAFRO CC(C)C[C@@H]([NH+](C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000066078398 202877673 /nfs/dbraw/zinc/87/76/73/202877673.db2.gz PKNHHRUELROULR-GOSISDBHSA-N 1 0 342.354 6.172 1 0 EKAFRO Oc1cccc([C@]23CCC[C@H](C2)[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1 ZINC000066079167 215008238 /nfs/dbraw/zinc/00/82/38/215008238.db2.gz BJIZSNKTBYAOCG-VSYWRSJOSA-N 1 0 347.502 5.082 1 0 EKAFRO Oc1cccc([C@]23CCC[C@H](C2)[N@H+](C[C@H]2C[C@H]2c2ccccc2)CC3)c1 ZINC000066079291 215007688 /nfs/dbraw/zinc/00/76/88/215007688.db2.gz BJIZSNKTBYAOCG-ZXMXYHOLSA-N 1 0 347.502 5.082 1 0 EKAFRO Oc1cccc([C@@]23CCC[C@@H](C2)[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)CC3)c1 ZINC000066079293 215008017 /nfs/dbraw/zinc/00/80/17/215008017.db2.gz BJIZSNKTBYAOCG-NAMDQGSHSA-N 1 0 347.502 5.082 1 0 EKAFRO C[NH+](C)C[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066100376 215009498 /nfs/dbraw/zinc/00/94/98/215009498.db2.gz WUSGTAILSJGBRD-DYVFJYSZSA-N 1 0 334.290 5.249 1 0 EKAFRO C[NH+](C)C[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000066100378 215010167 /nfs/dbraw/zinc/01/01/67/215010167.db2.gz WUSGTAILSJGBRD-GUYCJALGSA-N 1 0 334.290 5.249 1 0 EKAFRO Nc1[nH+]cc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCC1 ZINC000066100812 215010079 /nfs/dbraw/zinc/01/00/79/215010079.db2.gz ZTRFSLMQEIXZAA-UHFFFAOYSA-N 1 0 331.463 5.695 1 0 EKAFRO Nc1[nH+]cc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCCC1 ZINC000066101968 215011361 /nfs/dbraw/zinc/01/13/61/215011361.db2.gz YNLCDIVRFQTKLZ-UHFFFAOYSA-N 1 0 345.490 6.085 1 0 EKAFRO Clc1ccc(C2(C[NH+]3CCCCC3)CCCCC2)cc1Cl ZINC000066136529 215015945 /nfs/dbraw/zinc/01/59/45/215015945.db2.gz QQKNLGCYRCQFQP-UHFFFAOYSA-N 1 0 326.311 5.681 1 0 EKAFRO Oc1cccc([C@@]23CCC[C@@H](C2)[N@H+](C[C@H]2C[C@H]2c2ccccc2)CC3)c1 ZINC000066157027 215018509 /nfs/dbraw/zinc/01/85/09/215018509.db2.gz BJIZSNKTBYAOCG-BKXMBWNOSA-N 1 0 347.502 5.082 1 0 EKAFRO C[C@@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@@H](CCF)c1ccccc12 ZINC000066258773 215028669 /nfs/dbraw/zinc/02/86/69/215028669.db2.gz ICQWUFVFVBZJRE-UWJYYQICSA-N 1 0 339.454 5.170 1 0 EKAFRO C[C@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@@H](CCF)c1ccccc12 ZINC000066258774 215027721 /nfs/dbraw/zinc/02/77/21/215027721.db2.gz ICQWUFVFVBZJRE-UTKZUKDTSA-N 1 0 339.454 5.170 1 0 EKAFRO C[C@@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@H](CCF)c1ccccc12 ZINC000066258775 215027827 /nfs/dbraw/zinc/02/78/27/215027827.db2.gz ICQWUFVFVBZJRE-LAUBAEHRSA-N 1 0 339.454 5.170 1 0 EKAFRO CCC[C@H]1OC2(CC[NH+]([C@@H](C)c3ccccc3)CC2)c2ccccc21 ZINC000066259213 215027819 /nfs/dbraw/zinc/02/78/19/215027819.db2.gz HXQCSQKANKJRHG-PGRDOPGGSA-N 1 0 335.491 5.610 1 0 EKAFRO CCC[C@@H]1OC2(CC[NH+]([C@@H](C)c3ccccc3)CC2)c2ccccc21 ZINC000066259214 215027648 /nfs/dbraw/zinc/02/76/48/215027648.db2.gz HXQCSQKANKJRHG-AVRDEDQJSA-N 1 0 335.491 5.610 1 0 EKAFRO CCC[C@H]1OC2(CC[NH+]([C@H](C)c3ccccc3)CC2)c2ccccc21 ZINC000066259215 202882425 /nfs/dbraw/zinc/88/24/25/202882425.db2.gz HXQCSQKANKJRHG-XMSQKQJNSA-N 1 0 335.491 5.610 1 0 EKAFRO COCCCCCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)[NH2+]1 ZINC000069482147 291017464 /nfs/dbraw/zinc/01/74/64/291017464.db2.gz UDFAQHMVTQZZRW-QHAWAJNXSA-N 1 0 341.580 5.206 1 0 biogenic,in-vitro EKAFRO C[C@@H]1[C@H]2C[C@@H](C[C@@H]1[NH2+]Cc1coc(-c3ccc(Cl)cc3)n1)C2(C)C ZINC000072102732 216008283 /nfs/dbraw/zinc/00/82/83/216008283.db2.gz BANXIWRAPAPGFE-OLUCIUBSSA-N 1 0 344.886 5.155 1 0 EKAFRO C[C@@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]Cc1coc(-c3ccc(Cl)cc3)n1)C2(C)C ZINC000072102733 216008035 /nfs/dbraw/zinc/00/80/35/216008035.db2.gz BANXIWRAPAPGFE-KBEZCGTCSA-N 1 0 344.886 5.155 1 0 EKAFRO CC1(C)[C@@H]2C[C@H]1[C@H](C[NH2+]Cc1ccc(-c3ccccc3)s1)CC2 ZINC000072103164 216008189 /nfs/dbraw/zinc/00/81/89/216008189.db2.gz SLILKKAKBTYAJJ-LNLFQRSKSA-N 1 0 325.521 5.577 1 0 EKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(OCCCC)cc2)n1 ZINC000072103866 203162694 /nfs/dbraw/zinc/16/26/94/203162694.db2.gz CYFVZMRZYLRIRG-QGZVFWFLSA-N 1 0 344.499 5.579 1 0 EKAFRO [NH3+]C[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1 ZINC000072114437 203163456 /nfs/dbraw/zinc/16/34/56/203163456.db2.gz ABMWLOGCDSAWPT-FQEVSTJZSA-N 1 0 339.891 5.582 1 0 EKAFRO [NH3+]C[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1 ZINC000072114438 216011713 /nfs/dbraw/zinc/01/17/13/216011713.db2.gz ABMWLOGCDSAWPT-HXUWFJFHSA-N 1 0 339.891 5.582 1 0 EKAFRO CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000072125086 203165710 /nfs/dbraw/zinc/16/57/10/203165710.db2.gz HYYQDTGAVFYWEW-JOCHJYFZSA-N 1 0 346.861 5.995 1 0 EKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2c(Cl)cccc2Cl)n1 ZINC000072180196 203182915 /nfs/dbraw/zinc/18/29/15/203182915.db2.gz UZJCCYPOZJKGLC-GFCCVEGCSA-N 1 0 341.282 5.707 1 0 EKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2c(Cl)cccc2Cl)n1 ZINC000072180197 203181947 /nfs/dbraw/zinc/18/19/47/203181947.db2.gz UZJCCYPOZJKGLC-LBPRGKRZSA-N 1 0 341.282 5.707 1 0 EKAFRO C[C@H]([NH2+]Cc1coc(-c2ccc(Cl)cc2Cl)n1)C(C)(C)C ZINC000072180289 216065780 /nfs/dbraw/zinc/06/57/80/216065780.db2.gz HOWHTZZMBNDYEO-JTQLQIEISA-N 1 0 327.255 5.173 1 0 EKAFRO C[C@@H]([NH2+]Cc1coc(-c2ccc(Cl)cc2Cl)n1)C(C)(C)C ZINC000072180290 216065761 /nfs/dbraw/zinc/06/57/61/216065761.db2.gz HOWHTZZMBNDYEO-SNVBAGLBSA-N 1 0 327.255 5.173 1 0 EKAFRO Clc1ccccc1-c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)co1 ZINC000072180627 216066090 /nfs/dbraw/zinc/06/60/90/216066090.db2.gz XVZJUGJINNLDBY-LSDHHAIUSA-N 1 0 330.859 5.007 1 0 EKAFRO Clc1ccccc1-c1nc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)co1 ZINC000072180628 203182175 /nfs/dbraw/zinc/18/21/75/203182175.db2.gz XVZJUGJINNLDBY-HUUCEWRRSA-N 1 0 330.859 5.007 1 0 EKAFRO c1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000072180894 216065599 /nfs/dbraw/zinc/06/55/99/216065599.db2.gz PWVISLDROKLOPJ-PKOBYXMFSA-N 1 0 346.474 5.507 1 0 EKAFRO c1oc(-c2cccc3ccccc32)nc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000072180895 216065688 /nfs/dbraw/zinc/06/56/88/216065688.db2.gz PWVISLDROKLOPJ-IEBWSBKVSA-N 1 0 346.474 5.507 1 0 EKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072181520 216066878 /nfs/dbraw/zinc/06/68/78/216066878.db2.gz ZWLVXRHTKNUQRZ-CYBMUJFWSA-N 1 0 340.389 5.419 1 0 EKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072181521 203182266 /nfs/dbraw/zinc/18/22/66/203182266.db2.gz ZWLVXRHTKNUQRZ-ZDUSSCGKSA-N 1 0 340.389 5.419 1 0 EKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(Cl)cc2Cl)n1 ZINC000072182288 216067134 /nfs/dbraw/zinc/06/71/34/216067134.db2.gz SBNSYUQDVQZGKA-GFCCVEGCSA-N 1 0 341.282 5.707 1 0 EKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(OCCC)cc2)n1 ZINC000072182343 216067120 /nfs/dbraw/zinc/06/71/20/216067120.db2.gz INAOUISPJXBTRG-MRXNPFEDSA-N 1 0 330.472 5.189 1 0 EKAFRO CCCCCC[C@H]1Cc2c(Cl)cccc2[C@@H](c2ccccc2)[NH2+]1 ZINC000072183156 216067554 /nfs/dbraw/zinc/06/75/54/216067554.db2.gz XFZPZSZFJDXOFG-LAUBAEHRSA-N 1 0 327.899 5.914 1 0 EKAFRO CC(C)(C)c1ccc(-c2nc(C[NH2+]C3CCCCCC3)co2)cc1 ZINC000072183220 216067619 /nfs/dbraw/zinc/06/76/19/216067619.db2.gz HXPGIYFTZVFNND-UHFFFAOYSA-N 1 0 326.484 5.452 1 0 EKAFRO C[C@H]1C[C@H]([NH2+]Cc2coc(-c3sccc3Cl)n2)CC(C)(C)C1 ZINC000072183890 216067441 /nfs/dbraw/zinc/06/74/41/216067441.db2.gz TZPLRLKMTNURFL-RYUDHWBXSA-N 1 0 338.904 5.361 1 0 EKAFRO C[C@@H]1C[C@@H]([NH2+]Cc2coc(-c3sccc3Cl)n2)CC(C)(C)C1 ZINC000072183891 216067777 /nfs/dbraw/zinc/06/77/77/216067777.db2.gz TZPLRLKMTNURFL-VXGBXAGGSA-N 1 0 338.904 5.361 1 0 EKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000072184110 203183337 /nfs/dbraw/zinc/18/33/37/203183337.db2.gz HNFXQYHDBDKWDZ-GOSISDBHSA-N 1 0 348.490 6.067 1 0 EKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000072184111 216067705 /nfs/dbraw/zinc/06/77/05/216067705.db2.gz HNFXQYHDBDKWDZ-SFHVURJKSA-N 1 0 348.490 6.067 1 0 EKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2cc3ccccc3s2)n1 ZINC000072184333 216067096 /nfs/dbraw/zinc/06/70/96/216067096.db2.gz QZTXOTDBHJYWOM-CQSZACIVSA-N 1 0 328.481 5.615 1 0 EKAFRO C[C@@H]1C[C@H]([NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 ZINC000072185008 216067257 /nfs/dbraw/zinc/06/72/57/216067257.db2.gz KJSWVLBIPGDZQQ-CJNGLKHVSA-N 1 0 332.875 5.299 1 0 EKAFRO C[C@H]1C[C@H]([NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 ZINC000072185009 216067785 /nfs/dbraw/zinc/06/77/85/216067785.db2.gz KJSWVLBIPGDZQQ-BBRMVZONSA-N 1 0 332.875 5.299 1 0 EKAFRO C[C@@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 ZINC000072185010 203183584 /nfs/dbraw/zinc/18/35/84/203183584.db2.gz KJSWVLBIPGDZQQ-CZUORRHYSA-N 1 0 332.875 5.299 1 0 EKAFRO C[C@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 ZINC000072185011 203183295 /nfs/dbraw/zinc/18/32/95/203183295.db2.gz KJSWVLBIPGDZQQ-XJKSGUPXSA-N 1 0 332.875 5.299 1 0 EKAFRO Cc1ccc(-c2nc(C[NH2+][C@@H](C)c3cccc4ccccc43)co2)cc1 ZINC000072185705 203183231 /nfs/dbraw/zinc/18/32/31/203183231.db2.gz HTRLVBDFOIPSMC-KRWDZBQOSA-N 1 0 342.442 5.654 1 0 EKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000072185811 216067088 /nfs/dbraw/zinc/06/70/88/216067088.db2.gz HSMVGFCHIJPNRL-INIZCTEOSA-N 1 0 328.500 5.698 1 0 EKAFRO c1oc(-c2ccc(-c3ccccc3)cc2)nc1C[NH2+]C1CCCCCC1 ZINC000072186013 203183269 /nfs/dbraw/zinc/18/32/69/203183269.db2.gz KKRGMIDETXDDGH-UHFFFAOYSA-N 1 0 346.474 5.821 1 0 EKAFRO C[C@@H]1CCC[C@H]([NH2+]Cc2coc(-c3cccc4ccccc43)n2)[C@@H]1C ZINC000072186226 203183183 /nfs/dbraw/zinc/18/31/83/203183183.db2.gz SGASSMMBMACOAI-ZOCZFRKYSA-N 1 0 334.463 5.409 1 0 EKAFRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1coc(-c2cccc3ccccc32)n1 ZINC000072186227 216067790 /nfs/dbraw/zinc/06/77/90/216067790.db2.gz SGASSMMBMACOAI-MRUHUIDDSA-N 1 0 334.463 5.409 1 0 EKAFRO Clc1ccc(-c2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)co2)cc1 ZINC000072186437 216067807 /nfs/dbraw/zinc/06/78/07/216067807.db2.gz RCGCEJNYLDZZJB-UHFFFAOYSA-N 1 0 342.870 5.053 1 0 EKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000072186540 216068268 /nfs/dbraw/zinc/06/82/68/216068268.db2.gz IXGYRNWLRLWQQQ-GFCCVEGCSA-N 1 0 341.282 5.707 1 0 EKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000072186541 216068501 /nfs/dbraw/zinc/06/85/01/216068501.db2.gz IXGYRNWLRLWQQQ-LBPRGKRZSA-N 1 0 341.282 5.707 1 0 EKAFRO Nc1c2cc(-c3ccccc3)n(-c3ccccc3)c2[nH+]c2c1CCCC2 ZINC000073196665 216361821 /nfs/dbraw/zinc/36/18/21/216361821.db2.gz VRGOOLXPHWCIIA-UHFFFAOYSA-N 1 0 339.442 5.154 1 0 EKAFRO CCc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)cc1 ZINC000073197220 216362428 /nfs/dbraw/zinc/36/24/28/216362428.db2.gz FGUQEZOYIYHOAK-UHFFFAOYSA-N 1 0 347.527 5.233 1 0 EKAFRO C[N@H+](Cc1ccccc1)C12C[C@H]3CC(C)(C[C@@H](C1)c1ccccc13)C2 ZINC000073224804 216367061 /nfs/dbraw/zinc/36/70/61/216367061.db2.gz PBUVIMNDEIWRGJ-TUUBTQOTSA-N 1 0 331.503 5.722 1 0 EKAFRO Fc1ccc(OCCC[NH+]2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000073239717 203262214 /nfs/dbraw/zinc/26/22/14/203262214.db2.gz OPXIAQIQFMLKDK-UHFFFAOYSA-N 1 0 347.861 5.128 1 0 EKAFRO C[n+]1c(/C=C/c2ccc(-c3ccccc3)s2)ccc2ccccc21 ZINC000073275698 216372509 /nfs/dbraw/zinc/37/25/09/216372509.db2.gz UYWJEHDIVMRQEI-BUHFOSPRSA-N 1 0 328.460 5.563 1 0 EKAFRO CC[NH2+][C@@]1(c2cccc(C)c2)OC(C)(C)c2cccc3cccc1c32 ZINC000073298668 203263479 /nfs/dbraw/zinc/26/34/79/203263479.db2.gz RIDRBCLMWKJHJX-QHCPKHFHSA-N 1 0 331.459 5.224 1 0 EKAFRO CC[NH2+][C@]1(c2cccc(C)c2)OC(C)(C)c2cccc3cccc1c32 ZINC000073298672 203262518 /nfs/dbraw/zinc/26/25/18/203262518.db2.gz RIDRBCLMWKJHJX-HSZRJFAPSA-N 1 0 331.459 5.224 1 0 EKAFRO CC(C)=CCC/C(C)=C\CNC(=[NH2+])NC/C=C(/C)CCC=C(C)C ZINC000084154155 291015069 /nfs/dbraw/zinc/01/50/69/291015069.db2.gz WWGVMWNCEFTAEP-AXPXABNXSA-N 1 0 331.548 5.486 1 0 biogenic,in-vitro EKAFRO CC(C)=CCC/C(C)=C/CN(C/C=C(/C)CCC=C(C)C)C(N)=[NH2+] ZINC000084154159 291015072 /nfs/dbraw/zinc/01/50/72/291015072.db2.gz ZEAAMJFQDIQIDJ-LRVMPXQBSA-N 1 0 331.548 5.567 1 0 biogenic,in-vitro EKAFRO [NH3+]C1(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)CCC1 ZINC000084708958 217634221 /nfs/dbraw/zinc/63/42/21/217634221.db2.gz ABXVUGZVUCYNCO-UHFFFAOYSA-N 1 0 339.442 5.006 1 0 EKAFRO Cc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)cc1C ZINC000095580877 203764403 /nfs/dbraw/zinc/76/44/03/203764403.db2.gz YHBSZKUCSQEUNF-UHFFFAOYSA-N 1 0 347.527 5.287 1 0 EKAFRO CC(C)([NH3+])c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000095581990 218440371 /nfs/dbraw/zinc/44/03/71/218440371.db2.gz HZNBKLLDRNOMSI-UHFFFAOYSA-N 1 0 330.642 5.633 1 0 EKAFRO CCCCn1cc[n+]([C@H](c2cc3ccccc3o2)c2ccccc2)c1C ZINC000095587979 218442062 /nfs/dbraw/zinc/44/20/62/218442062.db2.gz PFPFEUHGYNQGPQ-QHCPKHFHSA-N 1 0 345.466 5.268 1 0 EKAFRO NC(=[NH2+])Cc1cccc2c(-c3ccc(C(F)(F)F)cc3)cccc12 ZINC000095596295 218444270 /nfs/dbraw/zinc/44/42/70/218444270.db2.gz ZSBVWUFJQWGXRA-UHFFFAOYSA-N 1 0 328.337 5.004 1 0 EKAFRO COc1ccc2c(cccc2CCC[NH+]2C(C)(C)CCCC2(C)C)c1 ZINC000095598673 218445360 /nfs/dbraw/zinc/44/53/60/218445360.db2.gz NTBUYKDNVAQONB-UHFFFAOYSA-N 1 0 339.523 5.824 1 0 EKAFRO Cc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccc(C)cc2)cc1 ZINC000095608636 218446230 /nfs/dbraw/zinc/44/62/30/218446230.db2.gz ONDPTBMGAHJQJQ-UHFFFAOYSA-N 1 0 347.527 5.287 1 0 EKAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)[NH+](C)C ZINC000095911546 291017471 /nfs/dbraw/zinc/01/74/71/291017471.db2.gz HACHLIKPIMANLR-NLCHCKGPSA-N 1 0 345.571 5.165 1 0 biogenic,in-vitro EKAFRO CCCCn1cc[n+]([C@H](C)c2ccc3oc4ccccc4c3c2)c1C ZINC000096915319 218898339 /nfs/dbraw/zinc/89/83/39/218898339.db2.gz OKXIEWDRZDSSND-MRXNPFEDSA-N 1 0 333.455 5.393 1 0 EKAFRO CCCCCCn1c2ccccc2c2cc[n+](Cc3ccccc3)cc21 ZINC000096922762 218900062 /nfs/dbraw/zinc/90/00/62/218900062.db2.gz RQIUIWAQUPGBFD-UHFFFAOYSA-N 1 0 343.494 5.711 1 0 EKAFRO CCCC[n+]1ccc2c3ccccc3n(CCCc3ccccc3)c2c1 ZINC000096922770 203900266 /nfs/dbraw/zinc/90/02/66/203900266.db2.gz YCKFRYSPGOOMTP-UHFFFAOYSA-N 1 0 343.494 5.515 1 0 EKAFRO COc1cc2c(cc1[C@@H](C)[NH2+]CC1CCCCC1)C=CC(C)(C)O2 ZINC000096932093 218901149 /nfs/dbraw/zinc/90/11/49/218901149.db2.gz LWFWVRZBVMVNHA-OAHLLOKOSA-N 1 0 329.484 5.110 1 0 EKAFRO CCCCCn1c2ccccc2c2cc(C[NH+]3CCCCC3)ccc21 ZINC000096938357 218903775 /nfs/dbraw/zinc/90/37/75/218903775.db2.gz NTCPKTSBLCDRJZ-UHFFFAOYSA-N 1 0 334.507 5.971 1 0 EKAFRO CCCCNc1cc(-c2ccccc2)[nH+]c2cc(OC)cc(OC)c12 ZINC000098085122 219081002 /nfs/dbraw/zinc/08/10/02/219081002.db2.gz PDUABDJEEBIIKK-UHFFFAOYSA-N 1 0 336.435 5.131 1 0 EKAFRO Cc1ccc(C(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccc(C)cc2)cc1 ZINC000100834281 219108852 /nfs/dbraw/zinc/10/88/52/219108852.db2.gz PPFYUSNKVHPQHA-ZBYYUNFXSA-N 1 0 335.491 5.035 1 0 EKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1ccccc1Cl)C2 ZINC000100834377 219109032 /nfs/dbraw/zinc/10/90/32/219109032.db2.gz TWLKFPACEDMNGQ-OEMYIYORSA-N 1 0 341.882 5.071 1 0 EKAFRO CC1=[NH+]c2ccccc2C[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000100886814 219110269 /nfs/dbraw/zinc/11/02/69/219110269.db2.gz GCUVYGOQNQYJRC-HSZRJFAPSA-N 1 0 326.443 5.536 1 0 EKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CCOC(c1ccccc1)c1ccccc1)C2 ZINC000100897366 219110043 /nfs/dbraw/zinc/11/00/43/219110043.db2.gz UJEVDHRYUSUDHU-FJPGZJACSA-N 1 0 335.491 5.056 1 0 EKAFRO Clc1ccc(/C=C2\CCN3Cc4ccccc4[NH+]=C23)cc1Cl ZINC000101007221 219113991 /nfs/dbraw/zinc/11/39/91/219113991.db2.gz ULTBPYKLRDZXQT-UKTHLTGXSA-N 1 0 329.230 5.326 1 0 EKAFRO FC(F)(F)c1ccccc1/C=C1\CCN2Cc3ccccc3[NH+]=C12 ZINC000101010633 219113975 /nfs/dbraw/zinc/11/39/75/219113975.db2.gz PEEOTUMYIQGPKP-SDNWHVSQSA-N 1 0 328.337 5.038 1 0 EKAFRO C(=C1\CCN2Cc3ccccc3[NH+]=C12)\c1ccccc1-c1ccccc1 ZINC000101010783 204000861 /nfs/dbraw/zinc/00/08/61/204000861.db2.gz JOADMKLFYKUSJD-CAPFRKAQSA-N 1 0 336.438 5.687 1 0 EKAFRO Clc1cccc(Cl)c1/C=C1\CCN2Cc3ccccc3[NH+]=C12 ZINC000101030277 219114423 /nfs/dbraw/zinc/11/44/23/219114423.db2.gz VYXFRELMSOBDRS-ZRDIBKRKSA-N 1 0 329.230 5.326 1 0 EKAFRO Clc1ccc(/C=C2\CCN3Cc4ccccc4[NH+]=C23)c(Cl)c1 ZINC000101030332 204000954 /nfs/dbraw/zinc/00/09/54/204000954.db2.gz URMKVDLYXNAKAF-UKTHLTGXSA-N 1 0 329.230 5.326 1 0 EKAFRO COc1ccc2c(c1)[C@@]13CCC[C@@H](C)[C@H]1[C@@H](C2)[N@@H+](C=C1CCC1)CC3 ZINC000101228259 219120091 /nfs/dbraw/zinc/12/00/91/219120091.db2.gz GXHZDJZDYXULJN-PMQPGWGVSA-N 1 0 337.507 5.067 1 0 EKAFRO COc1ccc2c(c1)[C@@]13CCC[C@H](C)[C@H]1[C@@H](C2)[N@@H+](C=C1CCC1)CC3 ZINC000101228263 219119480 /nfs/dbraw/zinc/11/94/80/219119480.db2.gz GXHZDJZDYXULJN-YYLLSARXSA-N 1 0 337.507 5.067 1 0 EKAFRO FC(F)(F)c1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(-c2ccccc2)c1 ZINC000101387204 204006032 /nfs/dbraw/zinc/00/60/32/204006032.db2.gz NAZAMXVJDAUZNQ-IZZQQSIFSA-N 1 0 347.380 5.034 1 0 EKAFRO CC(C)=CN1Cc2cc(Cl)c(Cl)c3[nH]c(=S)n(c32)C[C@@H]1C ZINC000101701924 204020101 /nfs/dbraw/zinc/02/01/01/204020101.db2.gz RBGHMPUVQIWMCT-VIFPVBQESA-N 1 0 342.295 5.133 1 0 EKAFRO Clc1ccc2c(c1)nccc2N[C@H]1CC[C@H]([NH+]2CCCCC2)CC1 ZINC000102262072 219192741 /nfs/dbraw/zinc/19/27/41/219192741.db2.gz SVJCZPVZDHLIEP-CALCHBBNSA-N 1 0 343.902 5.097 1 0 EKAFRO Cc1ccc(C[C@@]2(OCC[NH+](C)C)CC[C@H](C(C)(C)C)CC2)cc1 ZINC000102942697 219242103 /nfs/dbraw/zinc/24/21/03/219242103.db2.gz CFWGNVBFLHVDSZ-AQYVVDRMSA-N 1 0 331.544 5.091 1 0 EKAFRO Cc1ccc(C[C@@]2(OCC[NH+](C)C)CC[C@@H](C(C)(C)C)CC2)cc1 ZINC000102983364 204057438 /nfs/dbraw/zinc/05/74/38/204057438.db2.gz CFWGNVBFLHVDSZ-GRGXKFILSA-N 1 0 331.544 5.091 1 0 EKAFRO C[N@H+](C[C@@H]1CC2c3ccccc3C1c1ccccc12)C1CCCCC1 ZINC000103228208 219272183 /nfs/dbraw/zinc/27/21/83/219272183.db2.gz ABPLFALWMRYFNA-XWFFHEKESA-N 1 0 331.503 5.548 1 0 EKAFRO C[N@H+](C[C@H]1CC2c3ccccc3C1c1ccccc12)C1CCCCC1 ZINC000103228212 219272889 /nfs/dbraw/zinc/27/28/89/219272889.db2.gz ABPLFALWMRYFNA-ZPSAWSNLSA-N 1 0 331.503 5.548 1 0 EKAFRO C[N@H+](CC1=CC2c3ccccc3C1c1ccccc12)C1CCCCC1 ZINC000103228224 219272516 /nfs/dbraw/zinc/27/25/16/219272516.db2.gz ZMQRZDISBFLJFX-UHFFFAOYSA-N 1 0 329.487 5.468 1 0 EKAFRO Fc1ccc(C(F)(F)F)cc1-c1csc(Nc2cc[nH+]cc2)n1 ZINC000103229174 219272585 /nfs/dbraw/zinc/27/25/85/219272585.db2.gz JCHBLXBIIQXFLJ-UHFFFAOYSA-N 1 0 339.317 5.107 1 0 EKAFRO Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1ncc[nH]1 ZINC000103244912 204069357 /nfs/dbraw/zinc/06/93/57/204069357.db2.gz ZQJUNMKUHZNGTJ-SFHVURJKSA-N 1 0 336.826 5.054 1 0 EKAFRO [NH3+][C@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 ZINC000103247451 204068732 /nfs/dbraw/zinc/06/87/32/204068732.db2.gz WQGFDNQDRNGXFO-JSPTYHBCSA-N 1 0 336.454 5.055 1 0 EKAFRO [NH3+][C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 ZINC000103247454 219274361 /nfs/dbraw/zinc/27/43/61/219274361.db2.gz WQGFDNQDRNGXFO-FHOPOIAVSA-N 1 0 336.454 5.055 1 0 EKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccccc1Cl)C2 ZINC000103258434 204070941 /nfs/dbraw/zinc/07/09/41/204070941.db2.gz TWLKFPACEDMNGQ-OOSNJVJTSA-N 1 0 341.882 5.071 1 0 EKAFRO CC(C)(C)[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103258675 204071084 /nfs/dbraw/zinc/07/10/84/204071084.db2.gz PCJDDIHNGFLMPX-IBGZPJMESA-N 1 0 339.870 5.208 1 0 EKAFRO CC(C)(C)[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103258677 219278237 /nfs/dbraw/zinc/27/82/37/219278237.db2.gz PCJDDIHNGFLMPX-LJQANCHMSA-N 1 0 339.870 5.208 1 0 EKAFRO CC(C)[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000103265734 219279257 /nfs/dbraw/zinc/27/92/57/219279257.db2.gz OWJDEPLXSNLLNS-NRFANRHFSA-N 1 0 336.866 5.489 1 0 EKAFRO CC(C)[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000103265737 219279443 /nfs/dbraw/zinc/27/94/43/219279443.db2.gz OWJDEPLXSNLLNS-OAQYLSRUSA-N 1 0 336.866 5.489 1 0 EKAFRO CC(C)C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103265778 219278581 /nfs/dbraw/zinc/27/85/81/219278581.db2.gz XFSCRCQNAKRXLP-FQEVSTJZSA-N 1 0 339.870 5.065 1 0 EKAFRO CC(C)C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103265779 219278742 /nfs/dbraw/zinc/27/87/42/219278742.db2.gz XFSCRCQNAKRXLP-HXUWFJFHSA-N 1 0 339.870 5.065 1 0 EKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1cccc(Cl)c1)C2 ZINC000103267904 219278639 /nfs/dbraw/zinc/27/86/39/219278639.db2.gz FMPUWHUXNOPVQS-BQJUDKOJSA-N 1 0 341.882 5.071 1 0 EKAFRO CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(C3CC[NH2+]CC3)CCC[C@]21C ZINC000103272612 219280214 /nfs/dbraw/zinc/28/02/14/219280214.db2.gz MQYNWGZKOQCBNV-RBZQAINGSA-N 1 0 339.567 5.820 1 0 EKAFRO CC(C)[C@@H]1CCC2=C(CC[C@H]3[C@@](C)(C4CC[NH2+]CC4)CCC[C@]23C)C1 ZINC000103274448 219281325 /nfs/dbraw/zinc/28/13/25/219281325.db2.gz MFDGVYAVICCSCC-VCFYHUQZSA-N 1 0 343.599 6.345 1 0 EKAFRO CC(C)[C@H]1CCC2=C(CC[C@H]3[C@@](C)(C4CC[NH2+]CC4)CCC[C@]23C)C1 ZINC000103274450 219281223 /nfs/dbraw/zinc/28/12/23/219281223.db2.gz MFDGVYAVICCSCC-PVERMEFCSA-N 1 0 343.599 6.345 1 0 EKAFRO Cc1ccc2c(c1)c1c(n2CCC[NH2+]Cc2ccccc2)CCCC1 ZINC000103298738 219286680 /nfs/dbraw/zinc/28/66/80/219286680.db2.gz SBKJDWNLMOZBLQ-UHFFFAOYSA-N 1 0 332.491 5.008 1 0 EKAFRO Cc1ccc(C[NH2+]CCCn2c3ccc(C)cc3c3c2CCCC3)cc1 ZINC000103298936 219285961 /nfs/dbraw/zinc/28/59/61/219285961.db2.gz DBJDOVFQPYBFMI-UHFFFAOYSA-N 1 0 346.518 5.317 1 0 EKAFRO CCCC(CNC1=[NH+]CCCCC1)(c1ccccc1)c1ccccc1 ZINC000135942428 528002979 /nfs/dbraw/zinc/00/29/79/528002979.db2.gz LSODECUAIDGDSR-UHFFFAOYSA-N 1 0 334.507 5.335 1 0 EKAFRO CC(C)Oc1cccc([C@H]2C[C@H]2c2ccc3cc(C(N)=[NH2+])ccc3c2)c1 ZINC000141274521 581093980 /nfs/dbraw/zinc/09/39/80/581093980.db2.gz AIYYJNSOLWDMRN-YADHBBJMSA-N 1 0 344.458 5.182 1 0 EKAFRO CC(C)Oc1cccc([C@@H]2C[C@H]2c2ccc3cc(C(N)=[NH2+])ccc3c2)c1 ZINC000141274715 581093924 /nfs/dbraw/zinc/09/39/24/581093924.db2.gz AIYYJNSOLWDMRN-VXKWHMMOSA-N 1 0 344.458 5.182 1 0 EKAFRO Cc1cc(C[NH2+]C2CCCC2)cc(C)c1OCc1ccc(Cl)cc1 ZINC000169302907 533688193 /nfs/dbraw/zinc/68/81/93/533688193.db2.gz POIMVBBAQAABLL-UHFFFAOYSA-N 1 0 343.898 5.568 1 0 EKAFRO C1=NC[C@H](C23C[C@@H]4C[C@@H](CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1 ZINC000169328307 526419489 /nfs/dbraw/zinc/41/94/89/526419489.db2.gz RFEDASQCPIEZHK-JRXYTJKGSA-N 1 0 348.534 5.680 1 0 EKAFRO C[Si](C)(C)CCCCn1cc[n+](-c2ccc(-c3ccccc3)cc2)c1 ZINC000195489947 240972428 /nfs/dbraw/zinc/97/24/28/240972428.db2.gz MMRCGZHOQCNSMJ-UHFFFAOYSA-N 1 0 349.574 5.550 1 0 EKAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000003870960 560190911 /nfs/dbraw/zinc/19/09/11/560190911.db2.gz OCAXFDULERPAJM-JKWVGCSGSA-N 1 0 341.882 5.071 3 0 in-vitro EKAFRO CC(C)C[C@H]1C[NH+]=C(Nc2ccccc2)N1CCC1CCCCC1 ZINC000015924572 211868277 /nfs/dbraw/zinc/86/82/77/211868277.db2.gz YDWKTSRXWVPDTL-FQEVSTJZSA-N 1 0 327.516 5.155 3 0 EKAFRO CC(C)C[C@H]1C[NH+]=C(Nc2ccccc2)N1CC1CCC(C)CC1 ZINC000015924700 211869297 /nfs/dbraw/zinc/86/92/97/211869297.db2.gz JTXKHRKSOOYKLQ-QLOJAFMTSA-N 1 0 327.516 5.011 3 0 EKAFRO CC(C)C[C@H]1C[NH+]=C(Nc2ccccc2)N1CC1CCCCCC1 ZINC000036386662 213093009 /nfs/dbraw/zinc/09/30/09/213093009.db2.gz RNMZMEKJFRVWAX-FQEVSTJZSA-N 1 0 327.516 5.155 3 0 EKAFRO