smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccc(Cl)cc1 ZINC000001656590 209334833 /nfs/dbraw/zinc/33/48/33/209334833.db2.gz ROEVRPVBIIFVOM-UHFFFAOYSA-N 1 0 395.856 5.251 10 0 GKAERO CCC[C@@]1(c2cccc(OC)c2)CC[N@H+](CC[C@@H](OC(C)=O)c2ccccc2)C1 ZINC000255964371 209221041 /nfs/dbraw/zinc/22/10/41/209221041.db2.gz BGMGGZQRIMZMAO-JWQCQUIFSA-N 1 0 395.543 5.133 10 0 GKAERO CCCCc1oc2ccccc2c1C(=O)c1ccc(OCC[NH+](CC)CC)s1 ZINC000001997138 212143957 /nfs/dbraw/zinc/14/39/57/212143957.db2.gz YAKRKFCZKPDKHG-UHFFFAOYSA-N 1 0 399.556 5.789 10 0 investigational GKAERO CC[C@@H](C)[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315579 204333724 /nfs/dbraw/zinc/33/37/24/204333724.db2.gz UIXMBKNMNQSRAY-CQSZACIVSA-N 1 0 375.343 6.193 10 0 GKAERO CCOc1c(Cl)cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000010436571 204334316 /nfs/dbraw/zinc/33/43/16/204334316.db2.gz RNCBNPUDLLRLSH-JHMRYYBSSA-N 1 0 382.375 6.087 10 0 GKAERO Cc1sc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2c1-c1ccccc1 ZINC000020321253 204711771 /nfs/dbraw/zinc/71/17/71/204711771.db2.gz IBTCWCUTRJNCPX-UHFFFAOYSA-N 1 0 380.561 5.388 10 0 GKAERO CC[C@H](C)[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873853 204742769 /nfs/dbraw/zinc/74/27/69/204742769.db2.gz XKYRIOYXPGYSNP-HNNXBMFYSA-N 1 0 392.337 5.233 10 0 GKAERO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+][C@H](C)c2cccs2)c1 ZINC000064093912 205188418 /nfs/dbraw/zinc/18/84/18/205188418.db2.gz WPCLSMZSJAPWFB-OAHLLOKOSA-N 1 0 392.499 5.962 10 0 GKAERO COc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Br ZINC000020927544 211740358 /nfs/dbraw/zinc/74/03/58/211740358.db2.gz FDCFJADKYWVXEK-LGMBCPCJSA-N 1 0 378.354 5.296 10 0 GKAERO CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccccc1F ZINC000010435962 205862295 /nfs/dbraw/zinc/86/22/95/205862295.db2.gz URGPQJLBOPVQDY-UHFFFAOYSA-N 1 0 396.300 5.064 10 0 GKAERO CCOC(=O)N[C@@](CC[NH+]1CCCCC1)(c1cccc2ccccc21)C(C)C ZINC000005202730 206293611 /nfs/dbraw/zinc/29/36/11/206293611.db2.gz ZHIMWDBMMNPPSQ-XMMPIXPASA-N 1 0 382.548 5.313 10 0 GKAERO Cc1c2ccccc2oc1C(=O)N(CCC[NH+]1CCCCC1)c1ccccc1 ZINC000095558674 211276328 /nfs/dbraw/zinc/27/63/28/211276328.db2.gz CTMDNCSJPPQMLF-UHFFFAOYSA-N 1 0 376.500 5.264 10 0 GKAERO CCN(CC)c1ccc(Nc2nc(-c3cccnc3)nc3sc(C)cc32)cc1 ZINC000072260861 211082998 /nfs/dbraw/zinc/08/29/98/211082998.db2.gz VQHUCGHBFDHHJK-UHFFFAOYSA-N 1 0 389.528 5.652 10 0 GKAERO COc1cc(Cl)cc(C[NH2+]C2CCCCCCC2)c1OCc1ccccc1 ZINC000010475353 206814189 /nfs/dbraw/zinc/81/41/89/206814189.db2.gz FKSRGCGMERAGKA-UHFFFAOYSA-N 1 0 387.951 6.130 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000013721124 206993215 /nfs/dbraw/zinc/99/32/15/206993215.db2.gz XXPSLDIDDFVZRA-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000013721237 206993436 /nfs/dbraw/zinc/99/34/36/206993436.db2.gz CURMHYZRVBQIDX-UHFFFAOYSA-N 1 0 395.930 5.568 10 0 GKAERO Brc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccccc1 ZINC000020476686 207195895 /nfs/dbraw/zinc/19/58/95/207195895.db2.gz XIZPYZGIGWQJAU-UHFFFAOYSA-N 1 0 396.328 5.360 10 0 GKAERO COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccc(F)cc1Cl ZINC000020876288 207218105 /nfs/dbraw/zinc/21/81/05/207218105.db2.gz ZRJIJEDLSSYHHU-UHFFFAOYSA-N 1 0 399.893 5.665 10 0 GKAERO COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 ZINC000020875154 207218264 /nfs/dbraw/zinc/21/82/64/207218264.db2.gz FCIVJBHGJHVPTC-UHFFFAOYSA-N 1 0 395.930 5.568 10 0 GKAERO Clc1ccc(COc2ccc(C[NH2+]C3CCCC3)cc2Br)cc1 ZINC000020876429 207218409 /nfs/dbraw/zinc/21/84/09/207218409.db2.gz QYADIARUYFIPNN-UHFFFAOYSA-N 1 0 394.740 5.714 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OCC ZINC000020931795 207221177 /nfs/dbraw/zinc/22/11/77/207221177.db2.gz WUSXDUPPQTWCFB-UHFFFAOYSA-N 1 0 377.956 5.586 10 0 GKAERO CCCC[C@H](CC)C[NH+](C[C@@H](CC)CCCC)Cn1nnc2cc(C)ccc21 ZINC000038605404 207558070 /nfs/dbraw/zinc/55/80/70/207558070.db2.gz KPYHSKSQWKIIHY-VXKWHMMOSA-N 1 0 386.628 6.432 10 0 GKAERO O[C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000100279920 208373583 /nfs/dbraw/zinc/37/35/83/208373583.db2.gz YYLNKLBJCQFNPF-GASCZTMLSA-N 1 0 390.314 5.107 10 0 GKAERO Cc1ccc(COc2ccccc2C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020873577 210365733 /nfs/dbraw/zinc/36/57/33/210365733.db2.gz MODAIHFWQZCSQT-LRSVKMLNSA-N 1 0 389.583 6.269 10 0 GKAERO CCCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCC1 ZINC000020929630 210370262 /nfs/dbraw/zinc/37/02/62/210370262.db2.gz UAQKDRXOGAWDRC-UHFFFAOYSA-N 1 0 391.147 5.033 10 0 GKAERO CCCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000020925801 210369158 /nfs/dbraw/zinc/36/91/58/210369158.db2.gz UBQANZSVWJTJNF-UHFFFAOYSA-N 1 0 378.354 5.296 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000020874167 210365605 /nfs/dbraw/zinc/36/56/05/210365605.db2.gz ASKJLZOSJPXSRG-NRFANRHFSA-N 1 0 381.519 6.578 10 0 GKAERO COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccc(F)cc1Cl ZINC000020876176 210365394 /nfs/dbraw/zinc/36/53/94/210365394.db2.gz WCSMUKWDDFXMIX-INIZCTEOSA-N 1 0 399.893 5.918 10 0 GKAERO COc1cccc(CC[NH2+]Cc2cc3ccc(F)cc3nc2-c2ccsc2)c1 ZINC000020599175 210350722 /nfs/dbraw/zinc/35/07/22/210350722.db2.gz JVARDMSYQDTRKJ-UHFFFAOYSA-N 1 0 392.499 5.443 10 0 GKAERO COc1ccc(/C=C\c2cc(-c3ccccc3)cc(-c3ccccc3)[n+]2C)cc1 ZINC000020293482 210327762 /nfs/dbraw/zinc/32/77/62/210327762.db2.gz DQNXHVHGZDHUHM-SSZFMOIBSA-N 1 0 378.495 6.024 10 0 GKAERO Clc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 ZINC000010436545 221102948 /nfs/dbraw/zinc/10/29/48/221102948.db2.gz POFNCFOITANUHI-UHFFFAOYSA-N 1 0 381.947 5.977 10 0 GKAERO COc1cc(Br)cc(C[NH2+]C2CCCC2)c1OCc1ccccc1 ZINC000010474045 221103958 /nfs/dbraw/zinc/10/39/58/221103958.db2.gz ALMZYGDECYRUSH-UHFFFAOYSA-N 1 0 390.321 5.069 10 0 GKAERO Cc1c(C[NH2+]CCc2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315516 221100075 /nfs/dbraw/zinc/10/00/75/221100075.db2.gz SPQOXNJFLLYZTQ-UHFFFAOYSA-N 1 0 388.942 5.984 10 0 GKAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013724247 221284191 /nfs/dbraw/zinc/28/41/91/221284191.db2.gz RHPNDSJWEMQORH-UHFFFAOYSA-N 1 0 396.358 6.107 10 0 GKAERO CC(C)OCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013721713 221284343 /nfs/dbraw/zinc/28/43/43/221284343.db2.gz OMVRLMVCTIDIKB-UHFFFAOYSA-N 1 0 382.331 5.477 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013725870 221284394 /nfs/dbraw/zinc/28/43/94/221284394.db2.gz FFDFQGOQODETOW-SFHVURJKSA-N 1 0 397.921 6.169 10 0 GKAERO Fc1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000013723182 221284651 /nfs/dbraw/zinc/28/46/51/221284651.db2.gz UNGOLIIBYIWRQC-UHFFFAOYSA-N 1 0 398.692 6.378 10 0 GKAERO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013723107 221284729 /nfs/dbraw/zinc/28/47/29/221284729.db2.gz FHVWCYUZWOHFBZ-UHFFFAOYSA-N 1 0 393.141 6.031 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013725291 221284749 /nfs/dbraw/zinc/28/47/49/221284749.db2.gz QYXDKVMUCQRZLX-LJQANCHMSA-N 1 0 379.931 6.030 10 0 GKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccccc1Cl ZINC000013723464 221284765 /nfs/dbraw/zinc/28/47/65/221284765.db2.gz ODLMBICFLPEZCH-UHFFFAOYSA-N 1 0 385.935 5.908 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013726716 221285420 /nfs/dbraw/zinc/28/54/20/221285420.db2.gz KRHMMUKSDXQIAE-IBGZPJMESA-N 1 0 379.931 6.030 10 0 GKAERO CCCC[NH+](CCCC)CCCNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000013733861 221285481 /nfs/dbraw/zinc/28/54/81/221285481.db2.gz RUDZOVHKWGYAKN-UHFFFAOYSA-N 1 0 390.999 6.290 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013730164 221285806 /nfs/dbraw/zinc/28/58/06/221285806.db2.gz MMDPOLKZBHPEFS-UHFFFAOYSA-N 1 0 381.903 5.608 10 0 GKAERO CSc1ccc(-c2nc(C[N@H+](CC3CCC3)C[C@@H]3CCCO3)c(C)o2)cc1 ZINC000015074434 221331323 /nfs/dbraw/zinc/33/13/23/221331323.db2.gz YLYOVPZKFYVOMS-IBGZPJMESA-N 1 0 386.561 5.153 10 0 GKAERO COc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(C)cc1 ZINC000020873918 221515498 /nfs/dbraw/zinc/51/54/98/221515498.db2.gz BWMBPUNCPVYEOW-UHFFFAOYSA-N 1 0 391.555 5.641 10 0 GKAERO Clc1ccc(-c2ccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000211840759 136202914 /nfs/dbraw/zinc/20/29/14/136202914.db2.gz WQWXUBQHLDATMJ-UHFFFAOYSA-N 1 0 387.310 5.576 10 0 GKAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1cc(-c2ccccc2)no1 ZINC000013532682 560218828 /nfs/dbraw/zinc/21/88/28/560218828.db2.gz ZGCYMNJHHKQEGA-KPYOPSEVSA-N 1 0 378.903 5.729 10 0 in-vitro GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C2CCCCCCC2)cc1 ZINC000020874260 570283004 /nfs/dbraw/zinc/28/30/04/570283004.db2.gz QFOKNKBVKGZXBF-UHFFFAOYSA-N 1 0 387.567 6.930 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000020874165 570283012 /nfs/dbraw/zinc/28/30/12/570283012.db2.gz ASKJLZOSJPXSRG-OAQYLSRUSA-N 1 0 381.519 6.578 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000020874258 570283114 /nfs/dbraw/zinc/28/31/14/570283114.db2.gz DNYSEGNYEJVBCD-UHFFFAOYSA-N 1 0 389.583 7.032 10 0 GKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000020875152 570283265 /nfs/dbraw/zinc/28/32/65/570283265.db2.gz YHAIFABZDVZLQF-UHFFFAOYSA-N 1 0 383.894 5.699 10 0 GKAERO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3C)o2)cc1 ZINC000020875981 570283285 /nfs/dbraw/zinc/28/32/85/570283285.db2.gz QWXRYFSYGYSVDW-UHFFFAOYSA-N 1 0 386.289 5.316 10 0 GKAERO COc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccc(F)cc1Cl ZINC000020876155 570283413 /nfs/dbraw/zinc/28/34/13/570283413.db2.gz QQUIRYKKIAUDRC-UHFFFAOYSA-N 1 0 385.866 5.357 10 0 GKAERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875711 570283449 /nfs/dbraw/zinc/28/34/49/570283449.db2.gz TYCLWFIBECLHDN-UHFFFAOYSA-N 1 0 398.772 6.667 10 0 GKAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000020875713 570283492 /nfs/dbraw/zinc/28/34/92/570283492.db2.gz UHFJDQHSHHYLEE-UHFFFAOYSA-N 1 0 396.756 6.565 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Cl ZINC000020926240 570285053 /nfs/dbraw/zinc/28/50/53/570285053.db2.gz RYPNDSNSAOKHPQ-NJMHRBNOSA-N 1 0 396.402 6.621 10 0 GKAERO CCCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1Br ZINC000020925818 570285067 /nfs/dbraw/zinc/28/50/67/570285067.db2.gz YSINXZVSDRLNRO-UHFFFAOYSA-N 1 0 378.354 5.152 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+]C2CCCCCC2)cc1OCC ZINC000020932500 570285307 /nfs/dbraw/zinc/28/53/07/570285307.db2.gz XDJVWBUVEJDGHC-UHFFFAOYSA-N 1 0 384.358 5.449 10 0 GKAERO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873799 570288091 /nfs/dbraw/zinc/28/80/91/570288091.db2.gz QMJZSXCOEMLYKB-UHFFFAOYSA-N 1 0 392.337 5.233 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OC ZINC000020932957 570288260 /nfs/dbraw/zinc/28/82/60/570288260.db2.gz SIEWLQJQRBTTDD-UHFFFAOYSA-N 1 0 386.374 5.551 10 0 GKAERO CCCOc1ccc(Br)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020929121 570288358 /nfs/dbraw/zinc/28/83/58/570288358.db2.gz RSZSYTPCTPWVIP-UHFFFAOYSA-N 1 0 378.354 5.296 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000020932962 570288372 /nfs/dbraw/zinc/28/83/72/570288372.db2.gz GLJHVCXLTVZPKV-UHFFFAOYSA-N 1 0 384.358 5.449 10 0 GKAERO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000004369911 570371518 /nfs/dbraw/zinc/37/15/18/570371518.db2.gz PMGFTIDUJNLRSY-IGRGDXOOSA-N 1 0 397.603 5.613 10 0 GKAERO CCCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315568 570568271 /nfs/dbraw/zinc/56/82/71/570568271.db2.gz KJCJFEVBBMWYRY-UHFFFAOYSA-N 1 0 375.343 6.276 10 0 GKAERO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccccc1 ZINC000010473889 570571257 /nfs/dbraw/zinc/57/12/57/570571257.db2.gz XBFUHTLFDJVLOL-QGZVFWFLSA-N 1 0 381.903 5.778 10 0 GKAERO O=C(CSC1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000048533986 570659633 /nfs/dbraw/zinc/65/96/33/570659633.db2.gz NEXDEPXHPQWXGY-UHFFFAOYSA-N 1 0 375.537 5.420 10 0 GKAERO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013717429 570779084 /nfs/dbraw/zinc/77/90/84/570779084.db2.gz RKUOVYNAVGKAFX-GOSISDBHSA-N 1 0 395.930 6.169 10 0 GKAERO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000013719548 570779545 /nfs/dbraw/zinc/77/95/45/570779545.db2.gz RXXJQTODMLZQAT-UHFFFAOYSA-N 1 0 391.939 5.224 10 0 GKAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000013719751 570779920 /nfs/dbraw/zinc/77/99/20/570779920.db2.gz YPCQNKXVEVZOJK-UHFFFAOYSA-N 1 0 391.939 5.224 10 0 GKAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000013720266 570780058 /nfs/dbraw/zinc/78/00/58/570780058.db2.gz PHQROVCSICPXFR-UHFFFAOYSA-N 1 0 397.902 5.226 10 0 GKAERO CCCCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000013720091 570780078 /nfs/dbraw/zinc/78/00/78/570780078.db2.gz NYHORTXGVJWGQO-UHFFFAOYSA-N 1 0 375.940 5.524 10 0 GKAERO CCOc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1OCc1ccccc1 ZINC000013721341 570780602 /nfs/dbraw/zinc/78/06/02/570780602.db2.gz BSNHESJSUCPUBU-UHFFFAOYSA-N 1 0 395.930 5.650 10 0 GKAERO Cc1c(C[NH2+]CCC2=CCCCC2)c2ccccc2n1Cc1ccccc1Cl ZINC000013724001 570780992 /nfs/dbraw/zinc/78/09/92/570780992.db2.gz LFYNYPJYTYMRRN-UHFFFAOYSA-N 1 0 392.974 6.632 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2)c(Cl)c1 ZINC000013722748 570780997 /nfs/dbraw/zinc/78/09/97/570780997.db2.gz MXKLSMJVBXFHTD-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO CC(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000013724231 570781233 /nfs/dbraw/zinc/78/12/33/570781233.db2.gz VWQZEZKANOQLCM-UHFFFAOYSA-N 1 0 380.301 5.303 10 0 GKAERO CC(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000013724221 570781309 /nfs/dbraw/zinc/78/13/09/570781309.db2.gz YKPYTXLSJGTTBQ-UHFFFAOYSA-N 1 0 380.301 5.303 10 0 GKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000013725464 570781858 /nfs/dbraw/zinc/78/18/58/570781858.db2.gz KMJPUWGWLOQWED-LJQANCHMSA-N 1 0 393.502 5.524 10 0 GKAERO Brc1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)c(Br)c1 ZINC000013730642 570782735 /nfs/dbraw/zinc/78/27/35/570782735.db2.gz WVUIPZMIMPHDIX-UHFFFAOYSA-N 1 0 399.126 5.504 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1OCc1ccccc1F ZINC000013730021 570782774 /nfs/dbraw/zinc/78/27/74/570782774.db2.gz JHONOVNKGGDJFI-UHFFFAOYSA-N 1 0 395.474 5.102 10 0 GKAERO CCCCCC[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000010474851 570790884 /nfs/dbraw/zinc/79/08/84/570790884.db2.gz HODFFSBYCHRDJD-UHFFFAOYSA-N 1 0 393.163 5.280 10 0 GKAERO C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000019777212 570929637 /nfs/dbraw/zinc/92/96/37/570929637.db2.gz NKKGQDSWHYXDEI-UHFFFAOYSA-N 1 0 375.093 5.054 10 0 GKAERO CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040739772 570998656 /nfs/dbraw/zinc/99/86/56/570998656.db2.gz VUXVVQWLUHUJGF-UHFFFAOYSA-N 1 0 389.120 5.444 10 0 GKAERO O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000015073491 210151030 /nfs/dbraw/zinc/15/10/30/210151030.db2.gz VJUFOZSCZUGEJM-UHFFFAOYSA-N 1 0 399.494 5.279 10 0 GKAERO CCCC[NH+](CCCC)CCCNCc1cccc(OCc2ccc(C)cc2)c1 ZINC000013733916 210086709 /nfs/dbraw/zinc/08/67/09/210086709.db2.gz XHBJQROWSXFGLK-UHFFFAOYSA-N 1 0 396.619 5.956 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2Cl)cc1 ZINC000013720898 210085091 /nfs/dbraw/zinc/08/50/91/210085091.db2.gz BBFHSYDEMAWJKN-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO Fc1ccc(COc2ccc3ccccc3c2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723716 210084836 /nfs/dbraw/zinc/08/48/36/210084836.db2.gz ORXAKDUDFYVZOV-UHFFFAOYSA-N 1 0 389.514 6.538 10 0 GKAERO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000013724923 210084402 /nfs/dbraw/zinc/08/44/02/210084402.db2.gz BEBHNYCLXSPCFU-UHFFFAOYSA-N 1 0 382.331 5.859 10 0 GKAERO FC(F)(F)c1cccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3)o2)c1 ZINC000013721448 210084412 /nfs/dbraw/zinc/08/44/12/210084412.db2.gz NFDVXMPRYPMCMU-UHFFFAOYSA-N 1 0 379.809 5.951 10 0 GKAERO Cc1cc(-c2ccc(C[NH2+][C@H](C)CCc3ccccc3)o2)ccc1Br ZINC000013726582 210084317 /nfs/dbraw/zinc/08/43/17/210084317.db2.gz WEZQWFQCVHYUKT-QGZVFWFLSA-N 1 0 398.344 6.128 10 0 GKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1cccc(Cl)c1 ZINC000013723812 210084058 /nfs/dbraw/zinc/08/40/58/210084058.db2.gz CMSPHXOQFWWDQM-UHFFFAOYSA-N 1 0 385.935 5.908 10 0 GKAERO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000013724112 210084096 /nfs/dbraw/zinc/08/40/96/210084096.db2.gz ALDPTGZLEVEWML-UHFFFAOYSA-N 1 0 382.331 5.717 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000013721033 210084185 /nfs/dbraw/zinc/08/41/85/210084185.db2.gz SNENEBWIGROERJ-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000013724642 210083698 /nfs/dbraw/zinc/08/36/98/210083698.db2.gz OXTPCUNXNHMYLQ-UHFFFAOYSA-N 1 0 382.331 5.859 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000013718600 210083458 /nfs/dbraw/zinc/08/34/58/210083458.db2.gz DCQDQGMKUKKKKK-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013718775 210082905 /nfs/dbraw/zinc/08/29/05/210082905.db2.gz GCJLTPXTQWEOOI-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO CCCCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013719782 210083029 /nfs/dbraw/zinc/08/30/29/210083029.db2.gz KQQMIURCRCRHJP-UHFFFAOYSA-N 1 0 396.358 5.869 10 0 GKAERO CCOc1cccc(C[NH2+][C@@H](C)CC)c1OCc1ccc(Cl)cc1Cl ZINC000013717554 210082738 /nfs/dbraw/zinc/08/27/38/210082738.db2.gz XTNPUELWEFEWKS-AWEZNQCLSA-N 1 0 382.331 5.859 10 0 GKAERO CCOc1cccc(C[NH2+]CCc2ccccc2OC)c1OCc1ccccc1 ZINC000013719181 210082480 /nfs/dbraw/zinc/08/24/80/210082480.db2.gz CHONKJZAEXFTMN-UHFFFAOYSA-N 1 0 391.511 5.005 10 0 GKAERO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000010475201 209861967 /nfs/dbraw/zinc/86/19/67/209861967.db2.gz XHFHILCHYDIRNL-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO CCCCC[n+]1c(C(C)(C)C)cc(-c2ccccc2)c2c1-c1ccccc1CC2 ZINC000005308943 209587045 /nfs/dbraw/zinc/58/70/45/209587045.db2.gz GCSBSELJVKPUQB-UHFFFAOYSA-N 1 0 384.587 6.894 10 0 GKAERO CCCCCC[n+]1c(C(=O)OCC)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005308734 209587059 /nfs/dbraw/zinc/58/70/59/209587059.db2.gz SEHKWPLUKFUEAJ-UHFFFAOYSA-N 1 0 388.531 6.065 10 0 GKAERO c1ccc(C[n+]2c(-c3ccccc3)cc(-c3ccncc3)cc2-c2ccccc2)cc1 ZINC000005331728 204126154 /nfs/dbraw/zinc/12/61/54/204126154.db2.gz KVJOSSIWNAFBQU-UHFFFAOYSA-N 1 0 399.517 6.418 10 0 GKAERO Cc1c(C[NH2+]C2CCCCCCC2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315655 204333669 /nfs/dbraw/zinc/33/36/69/204333669.db2.gz XXEKWPAWDKSWNE-UHFFFAOYSA-N 1 0 394.990 6.854 10 0 GKAERO Cc1c(C[NH2+]CC(C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315575 204333937 /nfs/dbraw/zinc/33/39/37/204333937.db2.gz ISAOHLGMYLHZSP-UHFFFAOYSA-N 1 0 375.343 6.050 10 0 GKAERO Cc1c(C[NH2+]C(C)(C)CO)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315497 204333943 /nfs/dbraw/zinc/33/39/43/204333943.db2.gz GABHTCSGOOSZGZ-UHFFFAOYSA-N 1 0 391.342 5.165 10 0 GKAERO Clc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1 ZINC000010436592 204335194 /nfs/dbraw/zinc/33/51/94/204335194.db2.gz QPVRHTDPDSFWRS-UHFFFAOYSA-N 1 0 381.947 5.833 10 0 GKAERO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 ZINC000010473903 204335794 /nfs/dbraw/zinc/33/57/94/204335794.db2.gz VUAPKUJRQYSQTC-KRWDZBQOSA-N 1 0 396.328 5.879 10 0 GKAERO Clc1ccccc1-c1cncnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011788646 204353158 /nfs/dbraw/zinc/35/31/58/204353158.db2.gz KYUODJOBGUGVRY-FQEVSTJZSA-N 1 0 391.946 5.609 10 0 GKAERO COc1ccc2cc(C[NH2+]Cc3ccccc3OC)c(-c3ccsc3)nc2c1 ZINC000012047439 204368406 /nfs/dbraw/zinc/36/84/06/204368406.db2.gz FBFZTAAJISSLOI-UHFFFAOYSA-N 1 0 390.508 5.270 10 0 GKAERO CCOc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000013723557 204508906 /nfs/dbraw/zinc/50/89/06/204508906.db2.gz VCXGGQHUTBZCFW-UHFFFAOYSA-N 1 0 399.962 6.298 10 0 GKAERO CC[C@@H](C)[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873852 204742129 /nfs/dbraw/zinc/74/21/29/204742129.db2.gz XKYRIOYXPGYSNP-OAHLLOKOSA-N 1 0 392.337 5.233 10 0 GKAERO CCCC[C@H](CC)C[NH+](C[C@@H](CC)CCCC)Cn1nnc2c1cccc2C ZINC000033753845 204968311 /nfs/dbraw/zinc/96/83/11/204968311.db2.gz DHTAIMJOUCYGOL-VXKWHMMOSA-N 1 0 386.628 6.432 10 0 GKAERO CC(C)(C)[N@H+](CCC(=O)c1ccc(Br)s1)Cc1ccccc1 ZINC000045354941 205095558 /nfs/dbraw/zinc/09/55/58/205095558.db2.gz FDXSWIGANSTCJG-UHFFFAOYSA-N 1 0 380.351 5.384 10 0 GKAERO C1CCC([PH+](C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000090751804 211187587 /nfs/dbraw/zinc/18/75/87/211187587.db2.gz XLTOFYXJTSGAAW-UHFFFAOYSA-N 1 0 384.588 7.739 10 0 GKAERO Cc1ccc(-c2csc3ncnc(NC4CC(C)(C)[NH2+]C(C)(C)C4)c23)cc1 ZINC000020321388 207188399 /nfs/dbraw/zinc/18/83/99/207188399.db2.gz UPYIIACLDNUSRN-UHFFFAOYSA-N 1 0 380.561 5.388 10 0 GKAERO COc1cc(Cl)cc(C[NH2+]CCc2ccccc2)c1OCc1ccccc1 ZINC000020476681 207196793 /nfs/dbraw/zinc/19/67/93/207196793.db2.gz LLPSEZSUZVTULE-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2ccccc2)cc1 ZINC000020874173 207216601 /nfs/dbraw/zinc/21/66/01/207216601.db2.gz PEPAPLASYYLRHW-UHFFFAOYSA-N 1 0 381.519 6.060 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000020874214 207216926 /nfs/dbraw/zinc/21/69/26/207216926.db2.gz XJDMCRBWWJGIJO-UHFFFAOYSA-N 1 0 399.509 6.199 10 0 GKAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]Cc2cccs2)o1 ZINC000020875627 207217956 /nfs/dbraw/zinc/21/79/56/207217956.db2.gz CXTZQBQFTRXOPG-UHFFFAOYSA-N 1 0 382.710 5.714 10 0 GKAERO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 ZINC000020875203 207218567 /nfs/dbraw/zinc/21/85/67/207218567.db2.gz PQSOJUJVERNJRT-UHFFFAOYSA-N 1 0 381.903 5.526 10 0 GKAERO CCCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1Br ZINC000020926175 207219648 /nfs/dbraw/zinc/21/96/48/207219648.db2.gz FOPZDBGEGNAZPG-INIZCTEOSA-N 1 0 376.338 5.349 10 0 GKAERO CCCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1Br ZINC000020926182 207219786 /nfs/dbraw/zinc/21/97/86/207219786.db2.gz FOPZDBGEGNAZPG-MRXNPFEDSA-N 1 0 376.338 5.349 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OCC ZINC000020932213 207221228 /nfs/dbraw/zinc/22/12/28/207221228.db2.gz NXOMLZPRSDTIKC-KRWDZBQOSA-N 1 0 375.940 5.638 10 0 GKAERO CCCOc1c(C[NH2+]C2CCCCCCC2)cc(Br)cc1OC ZINC000020934328 207221393 /nfs/dbraw/zinc/22/13/93/207221393.db2.gz GKQHWISVVGDZRT-UHFFFAOYSA-N 1 0 384.358 5.449 10 0 GKAERO CCC[NH+](CCC)Cc1csc(-c2cccc(-c3ccccc3OC)c2)n1 ZINC000023319879 207273342 /nfs/dbraw/zinc/27/33/42/207273342.db2.gz QJGZCKODYMHGSZ-UHFFFAOYSA-N 1 0 380.557 6.108 10 0 GKAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022935990 207265083 /nfs/dbraw/zinc/26/50/83/207265083.db2.gz JROHDDGXKLVYMO-LJQANCHMSA-N 1 0 393.358 5.146 10 0 GKAERO FC(F)(F)SC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000095918400 208239796 /nfs/dbraw/zinc/23/97/96/208239796.db2.gz XOKONRZKJKVURM-MRXNPFEDSA-N 1 0 393.396 5.659 10 0 GKAERO CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OCC ZINC000020933543 210370412 /nfs/dbraw/zinc/37/04/12/210370412.db2.gz LPFPIJRQFAORPG-UHFFFAOYSA-N 1 0 382.331 5.513 10 0 GKAERO CCCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Br ZINC000020926023 210369525 /nfs/dbraw/zinc/36/95/25/210369525.db2.gz TWDHNHGDQRBEHB-UHFFFAOYSA-N 1 0 387.321 5.052 10 0 GKAERO COc1cccc(C[NH2+]C2CCCCC2)c1OCc1ccc(F)cc1Cl ZINC000020876157 210365531 /nfs/dbraw/zinc/36/55/31/210365531.db2.gz VSYMMABCEQYCAZ-UHFFFAOYSA-N 1 0 377.887 5.489 10 0 GKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C2CCCCC2)cc1 ZINC000020874533 210365538 /nfs/dbraw/zinc/36/55/38/210365538.db2.gz GIOOKSPWSXVWFH-UHFFFAOYSA-N 1 0 388.349 5.759 10 0 GKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000020875080 210365143 /nfs/dbraw/zinc/36/51/43/210365143.db2.gz VSMPUIRJJXOJBJ-UHFFFAOYSA-N 1 0 395.974 6.142 10 0 GKAERO COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccc(C)cc1 ZINC000020873978 210364423 /nfs/dbraw/zinc/36/44/23/210364423.db2.gz JVORAEOSDQZPEA-UHFFFAOYSA-N 1 0 379.475 5.054 10 0 GKAERO COc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000010435824 208758470 /nfs/dbraw/zinc/75/84/70/208758470.db2.gz ZEGLRXRSGQMXTP-UHFFFAOYSA-N 1 0 398.728 5.188 10 0 GKAERO CCCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315506 221100540 /nfs/dbraw/zinc/10/05/40/221100540.db2.gz RYNGNLGLJWQJKJ-UHFFFAOYSA-N 1 0 375.343 6.195 10 0 GKAERO COc1ccc2cc(C[NH2+]Cc3ccc(Cl)cc3)c(-c3ccsc3)nc2c1 ZINC000012149791 221160573 /nfs/dbraw/zinc/16/05/73/221160573.db2.gz WAGYXCGXJVEIFG-UHFFFAOYSA-N 1 0 394.927 5.915 10 0 GKAERO C[NH+](C)CC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000013684639 221280722 /nfs/dbraw/zinc/28/07/22/221280722.db2.gz JXJCJZNVWYQHIF-HSZRJFAPSA-N 1 0 392.930 5.430 10 0 in-vitro GKAERO CCOc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000013723642 221283956 /nfs/dbraw/zinc/28/39/56/221283956.db2.gz ADIRSFFYZJCNBY-UHFFFAOYSA-N 1 0 399.962 6.298 10 0 GKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000013725460 221284244 /nfs/dbraw/zinc/28/42/44/221284244.db2.gz KMJPUWGWLOQWED-IBGZPJMESA-N 1 0 393.502 5.524 10 0 GKAERO Clc1ccc(COc2cccc(C[NH2+]CCC3=CCCCC3)c2)c(Cl)c1 ZINC000013723606 221284279 /nfs/dbraw/zinc/28/42/79/221284279.db2.gz KLWGTHQEMQNTKG-UHFFFAOYSA-N 1 0 390.354 6.553 10 0 GKAERO COc1ccccc1C[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000013720725 221284440 /nfs/dbraw/zinc/28/44/40/221284440.db2.gz SQZCJSPEDJYTRV-UHFFFAOYSA-N 1 0 397.518 6.026 10 0 GKAERO COCCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000013722654 221284484 /nfs/dbraw/zinc/28/44/84/221284484.db2.gz RMZZFGKQOZASBM-UHFFFAOYSA-N 1 0 391.342 5.431 10 0 GKAERO CCOc1cc(C[NH2+]CCCOC)cc(Cl)c1OCc1ccccc1Cl ZINC000013722370 221284776 /nfs/dbraw/zinc/28/47/76/221284776.db2.gz FPYKNAZPPLQYSF-UHFFFAOYSA-N 1 0 398.330 5.097 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccccc1F ZINC000013730018 221285158 /nfs/dbraw/zinc/28/51/58/221285158.db2.gz DGLVYELFUKVRQW-UHFFFAOYSA-N 1 0 379.475 5.402 10 0 GKAERO CCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876459 221515812 /nfs/dbraw/zinc/51/58/12/221515812.db2.gz JLLAUHAJDDSTLE-UHFFFAOYSA-N 1 0 396.756 5.961 10 0 GKAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]C2CCCCCC2)o1 ZINC000020875705 221516117 /nfs/dbraw/zinc/51/61/17/221516117.db2.gz DKUDUMSDYFAJJR-UHFFFAOYSA-N 1 0 382.729 6.175 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+]CCC(C)C)cc1Br ZINC000020927038 221519038 /nfs/dbraw/zinc/51/90/38/221519038.db2.gz KUMYGGVEWLUMHL-UHFFFAOYSA-N 1 0 393.163 5.136 10 0 GKAERO COc1cc(Cl)cc(C[NH2+]CCc2ccccc2F)c1OCc1ccccc1 ZINC000020476747 570260947 /nfs/dbraw/zinc/26/09/47/570260947.db2.gz XREORYWMIYWHQH-UHFFFAOYSA-N 1 0 399.893 5.399 10 0 GKAERO O=C(CSCC[NH+]1CCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000001726196 570267623 /nfs/dbraw/zinc/26/76/23/570267623.db2.gz QOGJJAFMNYXNAG-UHFFFAOYSA-N 1 0 384.570 5.035 10 0 GKAERO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1OCc1ccc(C)cc1 ZINC000020874399 570282981 /nfs/dbraw/zinc/28/29/81/570282981.db2.gz CQWKQBOAXZXUFX-UHFFFAOYSA-N 1 0 381.560 6.175 10 0 GKAERO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874849 570283133 /nfs/dbraw/zinc/28/31/33/570283133.db2.gz NTXHHQYDKJCZCC-UHFFFAOYSA-N 1 0 391.939 5.142 10 0 GKAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000020930119 570285315 /nfs/dbraw/zinc/28/53/15/570285315.db2.gz UGQXEVJFNQAUKU-UHFFFAOYSA-N 1 0 398.330 5.132 10 0 GKAERO CCCOc1ccc(Br)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000020929360 570288413 /nfs/dbraw/zinc/28/84/13/570288413.db2.gz VIGGUHOCAQUUTA-UHFFFAOYSA-N 1 0 387.321 5.052 10 0 GKAERO CCN1CCC[C@H]1C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022935973 570338249 /nfs/dbraw/zinc/33/82/49/570338249.db2.gz JCEFMYJBVVEKMD-IBGZPJMESA-N 1 0 393.358 5.146 10 0 GKAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022935971 570338339 /nfs/dbraw/zinc/33/83/39/570338339.db2.gz JCEFMYJBVVEKMD-LJQANCHMSA-N 1 0 393.358 5.146 10 0 GKAERO CCN1CCC[C@H]1C[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022936373 570338842 /nfs/dbraw/zinc/33/88/42/570338842.db2.gz QHTRGSYHPKQHPC-NRFANRHFSA-N 1 0 392.518 5.132 10 0 GKAERO CCN1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022936370 570338871 /nfs/dbraw/zinc/33/88/71/570338871.db2.gz QHTRGSYHPKQHPC-OAQYLSRUSA-N 1 0 392.518 5.132 10 0 GKAERO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000004369905 570371419 /nfs/dbraw/zinc/37/14/19/570371419.db2.gz PMGFTIDUJNLRSY-DDRRAVBJSA-N 1 0 397.603 5.613 10 0 GKAERO C[N@H+](Cc1c[nH]nc1-c1cccc2ccccc21)Cc1cccc2cnccc21 ZINC000011936170 570449354 /nfs/dbraw/zinc/44/93/54/570449354.db2.gz BPZVUYJILLEBCA-UHFFFAOYSA-N 1 0 378.479 5.410 10 0 GKAERO Cc1c(C[NH2+]C2CCCCCC2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315646 570568231 /nfs/dbraw/zinc/56/82/31/570568231.db2.gz ZVYNNACTTZVIMC-UHFFFAOYSA-N 1 0 380.963 6.464 10 0 GKAERO Cc1c(C[NH2+]Cc2ccco2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315657 570568527 /nfs/dbraw/zinc/56/85/27/570568527.db2.gz FCADGDPPDVLGGC-UHFFFAOYSA-N 1 0 399.321 6.188 10 0 GKAERO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccccc1Cl ZINC000013717433 570779408 /nfs/dbraw/zinc/77/94/08/570779408.db2.gz LFHQZGNQGJMTAA-GOSISDBHSA-N 1 0 395.930 6.169 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000013719138 570779459 /nfs/dbraw/zinc/77/94/59/570779459.db2.gz FAUTUULPFHJAPP-UHFFFAOYSA-N 1 0 376.283 5.594 10 0 GKAERO CCCCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1Cl ZINC000013717536 570779713 /nfs/dbraw/zinc/77/97/13/570779713.db2.gz IVVDFNMQHJJDAX-UHFFFAOYSA-N 1 0 375.940 5.988 10 0 GKAERO CCCCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000013720156 570779819 /nfs/dbraw/zinc/77/98/19/570779819.db2.gz GQUDZMWGGSAZID-UHFFFAOYSA-N 1 0 391.939 5.224 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000013720909 570780150 /nfs/dbraw/zinc/78/01/50/570780150.db2.gz PREMUYBXCNHPRJ-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000013720906 570780166 /nfs/dbraw/zinc/78/01/66/570780166.db2.gz XZONHRLGWXWGSS-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO CC(C)OCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013721625 570780342 /nfs/dbraw/zinc/78/03/42/570780342.db2.gz ADTGUURCXZFKIZ-UHFFFAOYSA-N 1 0 397.946 5.977 10 0 GKAERO CC(C)OCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013722049 570780586 /nfs/dbraw/zinc/78/05/86/570780586.db2.gz VTRKRQQSYRSJBJ-UHFFFAOYSA-N 1 0 386.717 5.267 10 0 GKAERO CCOc1cc(C[NH2+]CCC2=CCCCC2)cc(Br)c1OCC ZINC000013723740 570780828 /nfs/dbraw/zinc/78/08/28/570780828.db2.gz SCATZUQXBSHILY-UHFFFAOYSA-N 1 0 382.342 5.227 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000013724716 570781342 /nfs/dbraw/zinc/78/13/42/570781342.db2.gz RMUVOXFELGOJIG-UHFFFAOYSA-N 1 0 396.756 5.960 10 0 GKAERO Cc1c(C[NH2+]CCC(C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000013724513 570781426 /nfs/dbraw/zinc/78/14/26/570781426.db2.gz CIUMQEIVDYPTCW-UHFFFAOYSA-N 1 0 389.370 6.441 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000013725264 570781429 /nfs/dbraw/zinc/78/14/29/570781429.db2.gz BMGSMYZPARWXTM-LJQANCHMSA-N 1 0 379.931 6.030 10 0 GKAERO COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccc(C)cc1 ZINC000013726499 570781792 /nfs/dbraw/zinc/78/17/92/570781792.db2.gz XAJYNTPOZSTYHC-NRFANRHFSA-N 1 0 389.539 5.694 10 0 GKAERO OCCCCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000013726890 570781804 /nfs/dbraw/zinc/78/18/04/570781804.db2.gz AVXSFZLIHNFUBN-UHFFFAOYSA-N 1 0 383.919 5.324 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccccc1F ZINC000013729986 570782781 /nfs/dbraw/zinc/78/27/81/570782781.db2.gz VQUDOTFQJJOOBD-UHFFFAOYSA-N 1 0 383.438 5.232 10 0 GKAERO CCOc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccccc1F ZINC000013729977 570782835 /nfs/dbraw/zinc/78/28/35/570782835.db2.gz YPFMGVSTDBCHGW-UHFFFAOYSA-N 1 0 397.465 5.275 10 0 GKAERO COc1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013722876 570863525 /nfs/dbraw/zinc/86/35/25/570863525.db2.gz AXJHVHRGCMISOZ-UHFFFAOYSA-N 1 0 389.120 5.097 10 0 GKAERO CCOc1cccc(C[NH2+]CC(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013717544 570863566 /nfs/dbraw/zinc/86/35/66/570863566.db2.gz CUXGFNIMIAGIDL-UHFFFAOYSA-N 1 0 382.331 5.717 10 0 GKAERO [NH3+]Cc1ccc2ccccc2c1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725245476 571041053 /nfs/dbraw/zinc/04/10/53/571041053.db2.gz JKOSBHHJCYBLME-UHFFFAOYSA-N 1 0 394.474 5.660 10 0 GKAERO CCCC[NH+](CCCC)CCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013733832 210085496 /nfs/dbraw/zinc/08/54/96/210085496.db2.gz FIJAVODADIQWPF-UHFFFAOYSA-N 1 0 376.972 5.982 10 0 GKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OCC)c1 ZINC000013720073 210084879 /nfs/dbraw/zinc/08/48/79/210084879.db2.gz ISYGBHNPAOLWLV-UHFFFAOYSA-N 1 0 385.548 5.269 10 0 GKAERO CCOc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccccc1Cl ZINC000013723560 210084893 /nfs/dbraw/zinc/08/48/93/210084893.db2.gz JALXOGJEBWSVSD-UHFFFAOYSA-N 1 0 399.962 6.298 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000013721042 210084914 /nfs/dbraw/zinc/08/49/14/210084914.db2.gz CIZMCCUSOAJMFO-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO COc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccc(F)cc1 ZINC000013725505 210084626 /nfs/dbraw/zinc/08/46/26/210084626.db2.gz NTDMUNNSAONERY-LJQANCHMSA-N 1 0 393.502 5.524 10 0 GKAERO COc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCc1ccccc1 ZINC000013724115 210084674 /nfs/dbraw/zinc/08/46/74/210084674.db2.gz JYYQNWPJYPJLBF-UHFFFAOYSA-N 1 0 392.337 5.172 10 0 GKAERO COc1ccccc1C[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013720792 210084125 /nfs/dbraw/zinc/08/41/25/210084125.db2.gz UOCPWJIKSQKAHA-UHFFFAOYSA-N 1 0 390.914 5.641 10 0 GKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCCc1ccccc1 ZINC000013721350 210084153 /nfs/dbraw/zinc/08/41/53/210084153.db2.gz RBIYINRURZSFIQ-UHFFFAOYSA-N 1 0 395.930 5.302 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccccc1Cl ZINC000013729856 210083805 /nfs/dbraw/zinc/08/38/05/210083805.db2.gz BHLFPSWXHZGUAI-UHFFFAOYSA-N 1 0 382.891 5.003 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013718671 210082986 /nfs/dbraw/zinc/08/29/86/210082986.db2.gz JJYDRQQPGJBOIO-UHFFFAOYSA-N 1 0 397.518 5.760 10 0 GKAERO CCOc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013717452 210082209 /nfs/dbraw/zinc/08/22/09/210082209.db2.gz ZASZODRAXOIDLA-UHFFFAOYSA-N 1 0 395.930 5.650 10 0 GKAERO C[N@@H+]1CCC[C@@H](CN(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)C1 ZINC000005699394 209230954 /nfs/dbraw/zinc/23/09/54/209230954.db2.gz LNHXILGMJFWSQG-JOCHJYFZSA-N 1 0 398.550 5.194 10 0 GKAERO CCC[C@]1(c2cccc(OC)c2)CC[N@H+](CC[C@@H](OC(C)=O)c2ccccc2)C1 ZINC000255964372 212137397 /nfs/dbraw/zinc/13/73/97/212137397.db2.gz BGMGGZQRIMZMAO-RPBOFIJWSA-N 1 0 395.543 5.133 10 0 GKAERO CCOc1cc(C[NH2+]C(C)(C)CC)ccc1OCc1ccc(Cl)cc1Cl ZINC000013724686 204508807 /nfs/dbraw/zinc/50/88/07/204508807.db2.gz OQCZZZHQAVLKPY-UHFFFAOYSA-N 1 0 396.358 6.249 10 0 GKAERO CC1(C)CC(N(Cc2ccccc2)C(=S)Nc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000017081771 204608254 /nfs/dbraw/zinc/60/82/54/204608254.db2.gz QBTQBHOCDBGMNX-UHFFFAOYSA-N 1 0 399.579 5.334 10 0 GKAERO CCCC[C@@H](CC)C[N@@H+](C[C@@H](CC)CCCC)Cn1nnc2cc(C)ccc21 ZINC000038605401 205037294 /nfs/dbraw/zinc/03/72/94/205037294.db2.gz KPYHSKSQWKIIHY-SZPZYZBQSA-N 1 0 386.628 6.432 10 0 GKAERO CN1CCS/C1=C\C=C1\CCC(/C=C/C2=[N+](C)CCS2)=C1c1ccccc1 ZINC000039440236 205085534 /nfs/dbraw/zinc/08/55/34/205085534.db2.gz FKSMSXNVDOWJQP-UHFFFAOYSA-N 1 0 395.617 5.024 10 0 GKAERO COc1ccccc1C1=C(C[NH+](C)C)[C@@H](c2ccc(F)cc2)c2ccccc2O1 ZINC000001405945 209115032 /nfs/dbraw/zinc/11/50/32/209115032.db2.gz VZKUKPWZTPYYSF-DEOSSOPVSA-N 1 0 389.470 5.332 10 0 GKAERO Cc1c(-c2cc(Cl)cc(-c3ccc(F)cc3)c2)ccc2[nH+]c(N)nc(N)c12 ZINC000084732491 205399495 /nfs/dbraw/zinc/39/94/95/205399495.db2.gz HEYQYBUXXCBNBI-UHFFFAOYSA-N 1 0 378.838 5.229 10 0 GKAERO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010474845 205861442 /nfs/dbraw/zinc/86/14/42/205861442.db2.gz ZXMHPSGRHFNKOF-UHFFFAOYSA-N 1 0 376.338 5.698 10 0 GKAERO C[C@H]([NH2+][C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1ccc(Br)s1 ZINC000226076917 206089422 /nfs/dbraw/zinc/08/94/22/206089422.db2.gz XWVVYOVEWZMTJP-GARJFASQSA-N 1 0 386.277 5.051 10 0 GKAERO C[NH+](C)CCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000000538498 206290889 /nfs/dbraw/zinc/29/08/89/206290889.db2.gz KGVYOGLFOPNPDJ-UHFFFAOYSA-N 1 0 383.495 5.351 10 0 investigational GKAERO CC[C@H](CO)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005337423 206606753 /nfs/dbraw/zinc/60/67/53/206606753.db2.gz AYFDEVDQLLROMZ-RUZDIDTESA-N 1 0 380.511 5.919 10 0 GKAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1cc(Cl)ccc1Cl ZINC000095077372 211218996 /nfs/dbraw/zinc/21/89/96/211218996.db2.gz XHBUMGRWQAUIAX-DLBZAZTESA-N 1 0 389.330 5.073 10 0 GKAERO Cc1ccc(C2=CC=CC[C@@]2(C)[PH+](C2CCCCC2)C2CCCCC2)c(C)c1 ZINC000095081009 211218061 /nfs/dbraw/zinc/21/80/61/211218061.db2.gz YNILVARTXNJCJT-HHHXNRCGSA-N 1 0 394.583 8.553 10 0 GKAERO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)c1 ZINC000089209299 211180209 /nfs/dbraw/zinc/18/02/09/211180209.db2.gz QKNRZZJLBYIYAZ-UHFFFAOYSA-N 1 0 375.516 5.142 10 0 GKAERO Cc1cc2c(cc1C)C(=O)O[C@@](CC[NH+](C)C)(c1ccc(Cl)c(Cl)c1)C2 ZINC000053230493 210870555 /nfs/dbraw/zinc/87/05/55/210870555.db2.gz UPQFJPGNSDOQJQ-OAQYLSRUSA-N 1 0 392.326 5.170 10 0 GKAERO COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)c(C)o2)ccc1F ZINC000014958554 207032276 /nfs/dbraw/zinc/03/22/76/207032276.db2.gz WRFPGOCSFWCYCN-LJQANCHMSA-N 1 0 380.463 5.177 10 0 GKAERO O=C1CC[C@@H]2C[N@H+](Cc3cc4ccccc4s3)CC[C@@H]2N1CC1CCCCC1 ZINC000014989034 207039045 /nfs/dbraw/zinc/03/90/45/207039045.db2.gz JZXLFXAKHHGLFU-IRLDBZIGSA-N 1 0 396.600 5.295 10 0 GKAERO Clc1ccc(-c2csc3ncnc(NCC[NH+]4CCCCCC4)c23)cc1 ZINC000015782783 207060417 /nfs/dbraw/zinc/06/04/17/207060417.db2.gz AYBJGNVGGURTRV-UHFFFAOYSA-N 1 0 386.952 5.300 10 0 GKAERO COc1cc(Cl)cc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccccc1 ZINC000020476772 207196665 /nfs/dbraw/zinc/19/66/65/207196665.db2.gz UAOKZHFEFZCWKN-UHFFFAOYSA-N 1 0 399.893 5.399 10 0 GKAERO CCOc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OCc1ccc(C)cc1 ZINC000020874305 207217092 /nfs/dbraw/zinc/21/70/92/207217092.db2.gz KBIVYTBMTMIOOG-UHFFFAOYSA-N 1 0 395.930 5.916 10 0 GKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCc2ccccc2F)o1 ZINC000020875937 207217723 /nfs/dbraw/zinc/21/77/23/207217723.db2.gz RMPZNBNIBOLYQI-UHFFFAOYSA-N 1 0 388.280 5.489 10 0 GKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000020875136 207218620 /nfs/dbraw/zinc/21/86/20/207218620.db2.gz VQHDOMMNPOLHJE-UHFFFAOYSA-N 1 0 395.886 5.246 10 0 GKAERO CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1Br ZINC000020926139 207219679 /nfs/dbraw/zinc/21/96/79/207219679.db2.gz UECAPFXRUSNNAC-UHFFFAOYSA-N 1 0 382.729 5.224 10 0 GKAERO CCCOc1c(Br)cc(Br)cc1C[NH2+]CCC(C)C ZINC000020929949 207220663 /nfs/dbraw/zinc/22/06/63/207220663.db2.gz AVVAYWQNHRVBAG-UHFFFAOYSA-N 1 0 393.163 5.136 10 0 GKAERO [NH3+][C@@H](c1cc(Br)ccc1Br)c1c(F)cccc1Cl ZINC000021814459 207238036 /nfs/dbraw/zinc/23/80/36/207238036.db2.gz XXQFMAXJHDJJLQ-ZDUSSCGKSA-N 1 0 393.481 5.052 10 0 GKAERO CCCNc1ccc(Sc2nc3ccccc3n2CC[NH+](CC)CC)cc1 ZINC000031623042 207384138 /nfs/dbraw/zinc/38/41/38/207384138.db2.gz VTBSOLHILHHKQT-UHFFFAOYSA-N 1 0 382.577 5.351 10 0 GKAERO CCn1c(C)c(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)c2ccccc21 ZINC000065060117 207831658 /nfs/dbraw/zinc/83/16/58/207831658.db2.gz ARRZGFYXFLFOHN-UHFFFAOYSA-N 1 0 395.591 5.021 10 0 GKAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1cc(Cl)ccc1Cl ZINC000095077375 208153003 /nfs/dbraw/zinc/15/30/03/208153003.db2.gz XHBUMGRWQAUIAX-SJORKVTESA-N 1 0 389.330 5.073 10 0 GKAERO O[C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1 ZINC000100279910 208374094 /nfs/dbraw/zinc/37/40/94/208374094.db2.gz OHJLOVWUCAXBEY-OKILXGFUSA-N 1 0 390.314 5.107 10 0 GKAERO CC(C)(C)OC(=O)N1CCC(C)([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000021983653 210402016 /nfs/dbraw/zinc/40/20/16/210402016.db2.gz FORYNCIWSMRLAW-UHFFFAOYSA-N 1 0 394.559 5.478 10 0 GKAERO CCCOc1c(C[NH2+][C@H](C)c2ccccc2)cc(Br)cc1OC ZINC000020934105 210371326 /nfs/dbraw/zinc/37/13/26/210371326.db2.gz YEGWXYITMRNXHI-CQSZACIVSA-N 1 0 378.310 5.097 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1OC ZINC000020931368 210370405 /nfs/dbraw/zinc/37/04/05/210370405.db2.gz NNOYGDBHTGOTDF-SVIALIIXSA-N 1 0 391.983 5.976 10 0 GKAERO COc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874962 210364962 /nfs/dbraw/zinc/36/49/62/210364962.db2.gz TVRZIJYUQRZTOR-UHFFFAOYSA-N 1 0 395.930 5.568 10 0 GKAERO Cc1ccc(COc2ccc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)cc2)cc1 ZINC000020873701 210364817 /nfs/dbraw/zinc/36/48/17/210364817.db2.gz DPCBQUIBGRYQAI-INPZHYGNSA-N 1 0 389.583 6.413 10 0 GKAERO CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876427 210364011 /nfs/dbraw/zinc/36/40/11/210364011.db2.gz QTIYXUPBICUVMD-UHFFFAOYSA-N 1 0 382.729 5.571 10 0 GKAERO CCOc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000010436563 221103044 /nfs/dbraw/zinc/10/30/44/221103044.db2.gz PHCQPIITPKBXDV-OSONQDNFSA-N 1 0 392.381 5.542 10 0 GKAERO COc1ccc(C[NH2+]Cc2cc(Cl)cc(OC)c2OCc2ccccc2)cc1 ZINC000010475395 221104007 /nfs/dbraw/zinc/10/40/07/221104007.db2.gz FXPAYKDADMBRLM-UHFFFAOYSA-N 1 0 397.902 5.226 10 0 GKAERO COc1cc(Br)cc(C[NH2+]CCC(C)C)c1OCc1ccccc1 ZINC000013724525 221284008 /nfs/dbraw/zinc/28/40/08/221284008.db2.gz WEXAPLUCSAROFM-UHFFFAOYSA-N 1 0 392.337 5.172 10 0 GKAERO CCCCOCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000013720102 221284037 /nfs/dbraw/zinc/28/40/37/221284037.db2.gz VKURBSCJXOBPAR-UHFFFAOYSA-N 1 0 380.326 5.314 10 0 GKAERO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccccc1Cl ZINC000013721670 221284207 /nfs/dbraw/zinc/28/42/07/221284207.db2.gz BHKLBYXPDQTUOI-UHFFFAOYSA-N 1 0 391.939 5.222 10 0 GKAERO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccccc1Cl ZINC000013723497 221284322 /nfs/dbraw/zinc/28/43/22/221284322.db2.gz RBJBUNJLYVDYAR-UHFFFAOYSA-N 1 0 385.935 5.908 10 0 GKAERO CC(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000013724195 221284460 /nfs/dbraw/zinc/28/44/60/221284460.db2.gz YKGMEGSTPDUUSL-UHFFFAOYSA-N 1 0 396.756 5.817 10 0 GKAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]CCC2=CCCCC2)o1 ZINC000013723954 221284512 /nfs/dbraw/zinc/28/45/12/221284512.db2.gz RNQOXBLJYBOKJH-UHFFFAOYSA-N 1 0 394.740 6.343 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000013724705 221284540 /nfs/dbraw/zinc/28/45/40/221284540.db2.gz KMPCXEXXDZIING-UHFFFAOYSA-N 1 0 396.756 5.960 10 0 GKAERO COCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013722407 221284643 /nfs/dbraw/zinc/28/46/43/221284643.db2.gz KWJUQDCQNROLLF-UHFFFAOYSA-N 1 0 388.722 5.352 10 0 GKAERO CCCCOCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013719491 221284785 /nfs/dbraw/zinc/28/47/85/221284785.db2.gz FLEFMJKYOZUUHB-UHFFFAOYSA-N 1 0 396.358 5.869 10 0 GKAERO CCCC[NH+](CCCC)CCCNCc1cccc(OCc2ccccc2)c1 ZINC000013733526 221285164 /nfs/dbraw/zinc/28/51/64/221285164.db2.gz CKKLMICGLXFALY-UHFFFAOYSA-N 1 0 382.592 5.648 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccccc1Cl ZINC000013729792 221285541 /nfs/dbraw/zinc/28/55/41/221285541.db2.gz RKUWRAMJQODWHD-UHFFFAOYSA-N 1 0 399.893 5.747 10 0 GKAERO CCOc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccccc1 ZINC000013726403 221285579 /nfs/dbraw/zinc/28/55/79/221285579.db2.gz ULOKEEXOWRDIKX-OAQYLSRUSA-N 1 0 389.539 5.775 10 0 GKAERO CCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874855 221515735 /nfs/dbraw/zinc/51/57/35/221515735.db2.gz IJLPMXBRXQKDDX-UHFFFAOYSA-N 1 0 375.940 5.906 10 0 GKAERO CCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874584 221515798 /nfs/dbraw/zinc/51/57/98/221515798.db2.gz DQBCUPWSSDLMSF-UHFFFAOYSA-N 1 0 376.338 5.616 10 0 GKAERO COc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1OCc1ccc(C)cc1 ZINC000020873923 221516310 /nfs/dbraw/zinc/51/63/10/221516310.db2.gz SDAZFJCRAOQRFX-UHFFFAOYSA-N 1 0 391.555 5.497 10 0 GKAERO CC[NH+]1CCN(c2ccc(-c3cc(Cl)nc4c3CCCCCC4)cc2)CC1 ZINC000211474228 136202985 /nfs/dbraw/zinc/20/29/85/136202985.db2.gz QICQZIUTNROHAI-UHFFFAOYSA-N 1 0 383.967 5.203 10 0 GKAERO CC(C)(C)OC(=O)N(Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000066345707 222139109 /nfs/dbraw/zinc/13/91/09/222139109.db2.gz OYDCCGUPEVEBEG-UHFFFAOYSA-N 1 0 380.532 5.088 10 0 GKAERO C[NH+](C)CCCOc1nn(Cc2ccccc2)c2ccc(Cc3ccccc3)cc21 ZINC000083295550 524057985 /nfs/dbraw/zinc/05/79/85/524057985.db2.gz KIODMZRQIHVXEE-UHFFFAOYSA-N 1 0 399.538 5.006 10 0 GKAERO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 ZINC000020874405 570283149 /nfs/dbraw/zinc/28/31/49/570283149.db2.gz JGOHYSRFWMBGTG-UHFFFAOYSA-N 1 0 391.511 5.271 10 0 GKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000020875975 570283400 /nfs/dbraw/zinc/28/34/00/570283400.db2.gz MSYCWGVHUNFAOL-UHFFFAOYSA-N 1 0 376.338 6.220 10 0 GKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCc2ccccc2F)cc1 ZINC000020875150 570283453 /nfs/dbraw/zinc/28/34/53/570283453.db2.gz FFRGCQNCMRBZRS-UHFFFAOYSA-N 1 0 383.894 5.699 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+]C2CCCC2)cc1Br ZINC000020926723 570285020 /nfs/dbraw/zinc/28/50/20/570285020.db2.gz MKCQLJIDWCKRJU-UHFFFAOYSA-N 1 0 391.147 5.033 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1Cl ZINC000020926333 570285038 /nfs/dbraw/zinc/28/50/38/570285038.db2.gz KLNGMWIUJIABKJ-UHFFFAOYSA-N 1 0 398.330 5.132 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+]Cc2ccc(C)cc2)cc1OCC ZINC000020932525 570285264 /nfs/dbraw/zinc/28/52/64/570285264.db2.gz HHJRHCPAXIKSMF-UHFFFAOYSA-N 1 0 392.337 5.235 10 0 GKAERO COc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Cl ZINC000020928637 570285369 /nfs/dbraw/zinc/28/53/69/570285369.db2.gz LRNKMYFKJCMRAV-UHFFFAOYSA-N 1 0 379.114 5.641 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000020932741 570288211 /nfs/dbraw/zinc/28/82/11/570288211.db2.gz NXNIZRUJDIKAEA-CQSZACIVSA-N 1 0 378.310 5.097 10 0 GKAERO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022936317 570338721 /nfs/dbraw/zinc/33/87/21/570338721.db2.gz RJHSSXPNXBVGRU-LJQANCHMSA-N 1 0 393.358 5.146 10 0 GKAERO CCN1CCC[C@H]1C[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000022936766 570338746 /nfs/dbraw/zinc/33/87/46/570338746.db2.gz ULESRMYHNZKQJF-QHCPKHFHSA-N 1 0 388.555 5.301 10 0 GKAERO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022936314 570338767 /nfs/dbraw/zinc/33/87/67/570338767.db2.gz UKEROLVKSWACNU-FQEVSTJZSA-N 1 0 393.358 5.146 10 0 GKAERO CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000003683221 570350252 /nfs/dbraw/zinc/35/02/52/570350252.db2.gz JEKQPZGODPLINH-ZGFBMJKBSA-N 1 0 375.487 5.515 10 0 GKAERO Cc1c(C[NH2+][C@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315504 570568358 /nfs/dbraw/zinc/56/83/58/570568358.db2.gz VKLUTHUSWCMIPO-GOSISDBHSA-N 1 0 388.942 6.502 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000013718790 570779601 /nfs/dbraw/zinc/77/96/01/570779601.db2.gz HRTNDTRWZHCBBA-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO CCCCOCCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013719832 570779848 /nfs/dbraw/zinc/77/98/48/570779848.db2.gz ILGWDDHBNOJLMN-UHFFFAOYSA-N 1 0 395.518 5.854 10 0 GKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000013720915 570779866 /nfs/dbraw/zinc/77/98/66/570779866.db2.gz QLXNNSUWIXSSGF-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013720127 570780050 /nfs/dbraw/zinc/78/00/50/570780050.db2.gz MALJEKUZOSFUFU-UHFFFAOYSA-N 1 0 396.358 5.869 10 0 GKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 ZINC000013720977 570780545 /nfs/dbraw/zinc/78/05/45/570780545.db2.gz HIGXTOSXKZLMDA-UHFFFAOYSA-N 1 0 399.893 5.399 10 0 GKAERO COc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccc(Cl)cc1 ZINC000013723493 570781010 /nfs/dbraw/zinc/78/10/10/570781010.db2.gz FHTPBTOAJCOMEB-UHFFFAOYSA-N 1 0 385.935 5.908 10 0 GKAERO COc1cccc(C[NH2+]CCC(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013724136 570781016 /nfs/dbraw/zinc/78/10/16/570781016.db2.gz MHBZUNRXOLECSV-UHFFFAOYSA-N 1 0 382.331 5.717 10 0 GKAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Cl)c1OCc1ccccc1Cl ZINC000013724776 570781245 /nfs/dbraw/zinc/78/12/45/570781245.db2.gz RAEZPQTXPPJBIS-UHFFFAOYSA-N 1 0 396.358 6.249 10 0 GKAERO CCOc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccccc1 ZINC000013726399 570781687 /nfs/dbraw/zinc/78/16/87/570781687.db2.gz ULOKEEXOWRDIKX-NRFANRHFSA-N 1 0 389.539 5.775 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000013726353 570781766 /nfs/dbraw/zinc/78/17/66/570781766.db2.gz LRLKEBOYEOHRKE-INIZCTEOSA-N 1 0 384.317 5.820 10 0 GKAERO CCOc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccccc1F ZINC000013729980 570782634 /nfs/dbraw/zinc/78/26/34/570782634.db2.gz SPNZCAPLLSODAY-UHFFFAOYSA-N 1 0 397.465 5.275 10 0 GKAERO CCOc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccc(Cl)cc1 ZINC000013730228 570782652 /nfs/dbraw/zinc/78/26/52/570782652.db2.gz KFCVOCOFEOTYNU-UHFFFAOYSA-N 1 0 387.951 6.130 10 0 GKAERO CCOc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccccc1F ZINC000013730009 570782662 /nfs/dbraw/zinc/78/26/62/570782662.db2.gz DUCHZCQOBBPMQD-UHFFFAOYSA-N 1 0 387.539 6.108 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccccc1Cl ZINC000013729825 570782754 /nfs/dbraw/zinc/78/27/54/570782754.db2.gz XPVMPQLDDCRTLT-UHFFFAOYSA-N 1 0 395.930 5.916 10 0 GKAERO C[NH2+]Cc1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000019777214 570929614 /nfs/dbraw/zinc/92/96/14/570929614.db2.gz VSBNLDGUEPZWJA-UHFFFAOYSA-N 1 0 375.093 5.054 10 0 GKAERO CSc1ccc(-c2nc(C[N@H+](CC3CCC3)C[C@H]3CCCO3)c(C)o2)cc1 ZINC000015074435 210151379 /nfs/dbraw/zinc/15/13/79/210151379.db2.gz YLYOVPZKFYVOMS-LJQANCHMSA-N 1 0 386.561 5.153 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000013721333 210085175 /nfs/dbraw/zinc/08/51/75/210085175.db2.gz LBCLRZDJHLXKIM-UHFFFAOYSA-N 1 0 380.702 6.239 10 0 GKAERO CC[NH+](CC)CCCNCc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000013734581 210086228 /nfs/dbraw/zinc/08/62/28/210086228.db2.gz CYFDZIDWDDQARN-UHFFFAOYSA-N 1 0 390.571 5.549 10 0 GKAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013725067 210085007 /nfs/dbraw/zinc/08/50/07/210085007.db2.gz GTQDDYIIJMEFLD-UHFFFAOYSA-N 1 0 375.940 5.904 10 0 GKAERO CCOc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccccc1 ZINC000013721750 210084874 /nfs/dbraw/zinc/08/48/74/210084874.db2.gz MOVBEKWVPCOZHA-UHFFFAOYSA-N 1 0 391.939 5.222 10 0 GKAERO CCCCOCCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013720133 210084900 /nfs/dbraw/zinc/08/49/00/210084900.db2.gz REIYLUHGUMXQEM-UHFFFAOYSA-N 1 0 384.951 5.639 10 0 GKAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccccc1F ZINC000013724259 210084610 /nfs/dbraw/zinc/08/46/10/210084610.db2.gz JCMDIVLJSAYIHI-UHFFFAOYSA-N 1 0 379.903 5.593 10 0 GKAERO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OC ZINC000013723024 210084772 /nfs/dbraw/zinc/08/47/72/210084772.db2.gz UUALMFJMGWXDRZ-UHFFFAOYSA-N 1 0 388.722 5.386 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000013724621 210084406 /nfs/dbraw/zinc/08/44/06/210084406.db2.gz FNRUOSIBDRZHKT-UHFFFAOYSA-N 1 0 392.337 5.315 10 0 GKAERO CCOc1cccc(C[NH2+]CCCOC)c1OCc1ccc(Cl)cc1Cl ZINC000013722700 210084455 /nfs/dbraw/zinc/08/44/55/210084455.db2.gz QOMDLZUQYXTNBZ-UHFFFAOYSA-N 1 0 398.330 5.097 10 0 GKAERO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3)o2)cc1Cl ZINC000013721344 210084492 /nfs/dbraw/zinc/08/44/92/210084492.db2.gz GTUNWUJIABEMIT-UHFFFAOYSA-N 1 0 376.283 5.594 10 0 GKAERO CCC(C)(C)[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013725130 210084571 /nfs/dbraw/zinc/08/45/71/210084571.db2.gz CBYCECVUYKDZMQ-UHFFFAOYSA-N 1 0 389.370 6.583 10 0 GKAERO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000013721667 210084250 /nfs/dbraw/zinc/08/42/50/210084250.db2.gz MKGBILDDGHZELU-UHFFFAOYSA-N 1 0 391.939 5.222 10 0 GKAERO Cc1c(C[NH2+]CCCOC(C)C)c2ccccc2n1Cc1ccccc1Cl ZINC000013722096 210084120 /nfs/dbraw/zinc/08/41/20/210084120.db2.gz QFHYDRMWAUCHET-UHFFFAOYSA-N 1 0 384.951 5.556 10 0 GKAERO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000013725102 210084170 /nfs/dbraw/zinc/08/41/70/210084170.db2.gz UEHMKNXKXYLJOO-UHFFFAOYSA-N 1 0 396.756 5.960 10 0 GKAERO CCCCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000013717532 210082529 /nfs/dbraw/zinc/08/25/29/210082529.db2.gz TTZPQRYLIINLRG-UHFFFAOYSA-N 1 0 396.358 6.251 10 0 GKAERO CCn1c2ccccc2c2cc(/C=C/C3=[N+](C)c4ccccc4C3(C)C)ccc21 ZINC000005140373 209230836 /nfs/dbraw/zinc/23/08/36/209230836.db2.gz VCIQEEVKSUETCL-UHFFFAOYSA-N 1 0 379.527 6.534 10 0 GKAERO OC1(c2ccc(Cl)c(Cl)c2)CC[NH+](Cc2coc3ccccc23)CC1 ZINC000028878475 212158545 /nfs/dbraw/zinc/15/85/45/212158545.db2.gz WBZXILODXAKGQO-UHFFFAOYSA-N 1 0 376.283 5.223 10 0 GKAERO CCCCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315571 204333656 /nfs/dbraw/zinc/33/36/56/204333656.db2.gz NFXVXEQVAQIBFZ-UHFFFAOYSA-N 1 0 389.370 6.666 10 0 GKAERO Clc1ccccc1-c1cncnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011788645 204352931 /nfs/dbraw/zinc/35/29/31/204352931.db2.gz KYUODJOBGUGVRY-HXUWFJFHSA-N 1 0 391.946 5.609 10 0 GKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000013726567 204508654 /nfs/dbraw/zinc/50/86/54/204508654.db2.gz FKTFPJZEKNPRJD-FQEVSTJZSA-N 1 0 393.958 6.338 10 0 GKAERO Clc1ccccc1Cn1cc(C[NH2+]CCC2=CCCCC2)c2ccccc21 ZINC000013723989 204508186 /nfs/dbraw/zinc/50/81/86/204508186.db2.gz WBVJYSUOTQRTEV-UHFFFAOYSA-N 1 0 378.947 6.323 10 0 GKAERO CCCC[NH+](CCCC)CCCNCc1cc(Cl)c(OCC)c(OCC)c1 ZINC000013733693 204510313 /nfs/dbraw/zinc/51/03/13/204510313.db2.gz WKEJKMPSDOJEKN-UHFFFAOYSA-N 1 0 399.019 5.519 10 0 GKAERO Cc1cc(C)n(CC[NH2+]Cc2cc3ccc(Cl)cc3nc2-c2ccsc2)n1 ZINC000299768968 206188458 /nfs/dbraw/zinc/18/84/58/206188458.db2.gz KOPWKUBZTCTSLH-UHFFFAOYSA-N 1 0 396.947 5.220 10 0 GKAERO C/C(=C/CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000095936789 211284181 /nfs/dbraw/zinc/28/41/81/211284181.db2.gz OOQZQRDZBRIPLQ-ZWSORDCHSA-N 1 0 395.934 5.114 10 0 GKAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000095077357 211218614 /nfs/dbraw/zinc/21/86/14/211218614.db2.gz JPJKAYARVUCHAO-IRXDYDNUSA-N 1 0 389.330 5.073 10 0 GKAERO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccc3cnccc32)cc1C ZINC000014969794 207035715 /nfs/dbraw/zinc/03/57/15/207035715.db2.gz IZZDQYGSHLSOLY-DEOSSOPVSA-N 1 0 382.511 5.205 10 0 GKAERO Fc1ccc(-c2nc3cc4c(cc3cc2C[NH2+]Cc2cccs2)OCO4)cc1 ZINC000014980639 207038831 /nfs/dbraw/zinc/03/88/31/207038831.db2.gz WTPVWCUNLJNANP-UHFFFAOYSA-N 1 0 392.455 5.121 10 0 GKAERO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3Cl)o2)cc1 ZINC000020875717 207218290 /nfs/dbraw/zinc/21/82/90/207218290.db2.gz GZSMZBNJIHZWDF-UHFFFAOYSA-N 1 0 390.708 5.961 10 0 GKAERO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020874981 207218519 /nfs/dbraw/zinc/21/85/19/207218519.db2.gz QUBPGQLLWUFLEH-UHFFFAOYSA-N 1 0 375.940 5.906 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+]C2CCCCCCC2)cc1OCC ZINC000020932516 207221689 /nfs/dbraw/zinc/22/16/89/207221689.db2.gz ABKOXNYATVXBGC-UHFFFAOYSA-N 1 0 398.385 5.839 10 0 GKAERO CCCC[C@@H](CC)C[NH+](C[C@H](CC)CCCC)Cn1nnc2cc(C)ccc21 ZINC000038605407 207560580 /nfs/dbraw/zinc/56/05/80/207560580.db2.gz KPYHSKSQWKIIHY-FGZHOGPDSA-N 1 0 386.628 6.432 10 0 GKAERO [NH3+][C@@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000095077366 208152857 /nfs/dbraw/zinc/15/28/57/208152857.db2.gz VZRSBFXIJNMZNF-IAGOWNOFSA-N 1 0 389.330 5.073 10 0 GKAERO [NH3+][C@@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1cc(Cl)ccc1Cl ZINC000095077374 208153534 /nfs/dbraw/zinc/15/35/34/208153534.db2.gz XHBUMGRWQAUIAX-IAGOWNOFSA-N 1 0 389.330 5.073 10 0 GKAERO Cc1cc(-c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)o2)ccc1Br ZINC000020875850 210365207 /nfs/dbraw/zinc/36/52/07/210365207.db2.gz XRIOXDWPLKWIDJ-UHFFFAOYSA-N 1 0 378.354 6.322 10 0 GKAERO CCOc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc(C)cc1 ZINC000020874354 210364939 /nfs/dbraw/zinc/36/49/39/210364939.db2.gz SHBMBWBXNJTEQO-UHFFFAOYSA-N 1 0 393.502 5.444 10 0 GKAERO CC[NH+](CC)CCNCc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874248 210364779 /nfs/dbraw/zinc/36/47/79/210364779.db2.gz LIXVLBLZURMGCF-UHFFFAOYSA-N 1 0 376.544 5.159 10 0 GKAERO CCCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873819 210364665 /nfs/dbraw/zinc/36/46/65/210364665.db2.gz AHXOESOOONIQKK-UHFFFAOYSA-N 1 0 392.337 5.235 10 0 GKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C(C)(C)CC(C)(C)C)o1 ZINC000020875973 210364349 /nfs/dbraw/zinc/36/43/49/210364349.db2.gz FETHXCFVGXDNAV-UHFFFAOYSA-N 1 0 378.354 6.322 10 0 GKAERO Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000008624154 221047239 /nfs/dbraw/zinc/04/72/39/221047239.db2.gz YBVVYJMCILXJDR-RTBURBONSA-N 1 0 392.934 5.048 10 0 GKAERO Cc1c(C[NH2+]C(C)(C)CC(C)(C)C)c2ccccc2n1Cc1ccccc1Cl ZINC000010315652 221100490 /nfs/dbraw/zinc/10/04/90/221100490.db2.gz LWIJDNUGWBWLJQ-UHFFFAOYSA-N 1 0 397.006 6.956 10 0 GKAERO COc1ccc2cc(C[NH2+]Cc3ccc(F)cc3)c(-c3ccsc3)nc2c1 ZINC000011785651 221125115 /nfs/dbraw/zinc/12/51/15/221125115.db2.gz NXOPRHJPNNZYFH-UHFFFAOYSA-N 1 0 378.472 5.401 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000013719285 221283989 /nfs/dbraw/zinc/28/39/89/221283989.db2.gz PWPOBYAGQRTQSL-UHFFFAOYSA-N 1 0 395.930 5.568 10 0 GKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccc(Cl)cc1 ZINC000013723460 221284163 /nfs/dbraw/zinc/28/41/63/221284163.db2.gz NUGVCVFYCFZBPP-UHFFFAOYSA-N 1 0 385.935 5.908 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000013721320 221284471 /nfs/dbraw/zinc/28/44/71/221284471.db2.gz LQVSIVSTJOFQQW-UHFFFAOYSA-N 1 0 390.708 5.695 10 0 GKAERO CCCCOCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013719679 221284674 /nfs/dbraw/zinc/28/46/74/221284674.db2.gz GTALOXMNGZQFDL-UHFFFAOYSA-N 1 0 396.358 5.869 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccc(Cl)cc1 ZINC000013730243 221285257 /nfs/dbraw/zinc/28/52/57/221285257.db2.gz JOVXWRSGGYADPC-UHFFFAOYSA-N 1 0 395.930 5.916 10 0 GKAERO CC(C)C[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730687 221285602 /nfs/dbraw/zinc/28/56/02/221285602.db2.gz PYKDQWZOFCKHJB-UHFFFAOYSA-N 1 0 387.115 5.217 10 0 GKAERO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874830 221515464 /nfs/dbraw/zinc/51/54/64/221515464.db2.gz RAMISLCHRDAHAH-UHFFFAOYSA-N 1 0 396.918 5.311 10 0 GKAERO COc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccc(F)cc1Cl ZINC000020876186 221515658 /nfs/dbraw/zinc/51/56/58/221515658.db2.gz ZWNVCNYBRRTJSS-UHFFFAOYSA-N 1 0 399.893 5.399 10 0 GKAERO Cc1ccc(-c2ccc(C[NH2+]C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)o2)cc1Cl ZINC000020876558 221515967 /nfs/dbraw/zinc/51/59/67/221515967.db2.gz PEVBKYNZBBYPFK-MDQWUCQQSA-N 1 0 383.963 6.747 10 0 GKAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000095077393 222329140 /nfs/dbraw/zinc/32/91/40/222329140.db2.gz BVLGTHFDYBQOPI-IRXDYDNUSA-N 1 0 389.330 5.073 10 0 GKAERO [NH3+]C1CCC(Nc2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)CC1 ZINC000095077193 222329520 /nfs/dbraw/zinc/32/95/20/222329520.db2.gz KSGXPBOKCFZFRE-UHFFFAOYSA-N 1 0 389.330 5.073 10 0 GKAERO Cc1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)oc1C ZINC000012612759 524675041 /nfs/dbraw/zinc/67/50/41/524675041.db2.gz SYJBXJVPKGTAPA-UHFFFAOYSA-N 1 0 378.472 5.007 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000020874218 570283024 /nfs/dbraw/zinc/28/30/24/570283024.db2.gz UXBLNOJAPHBTMD-UHFFFAOYSA-N 1 0 385.482 6.156 10 0 GKAERO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 ZINC000020874361 570283190 /nfs/dbraw/zinc/28/31/90/570283190.db2.gz WORGOJBUGSIRPP-UHFFFAOYSA-N 1 0 379.475 5.402 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Cl ZINC000020926459 570284971 /nfs/dbraw/zinc/28/49/71/570284971.db2.gz ZLEQYQRDDTVMBI-UHFFFAOYSA-N 1 0 377.315 5.596 10 0 GKAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000020930025 570285320 /nfs/dbraw/zinc/28/53/20/570285320.db2.gz VKIKZRJXWLDWBF-UBWJNLJSSA-N 1 0 396.402 6.621 10 0 GKAERO CCCOc1ccc(Br)cc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000020929536 570288292 /nfs/dbraw/zinc/28/82/92/570288292.db2.gz MOUZSRMEOLDZAP-MRXNPFEDSA-N 1 0 376.338 5.349 10 0 GKAERO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000215690612 570290714 /nfs/dbraw/zinc/29/07/14/570290714.db2.gz PMGFTIDUJNLRSY-SRNFOCHHSA-N 1 0 397.603 5.613 10 0 GKAERO CCN1CCC[C@H]1C[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022936377 570338644 /nfs/dbraw/zinc/33/86/44/570338644.db2.gz DXKPAFUONJMSEU-QFIPXVFZSA-N 1 0 392.518 5.132 10 0 GKAERO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022936312 570338775 /nfs/dbraw/zinc/33/87/75/570338775.db2.gz UKEROLVKSWACNU-HXUWFJFHSA-N 1 0 393.358 5.146 10 0 GKAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000022935992 570338811 /nfs/dbraw/zinc/33/88/11/570338811.db2.gz JROHDDGXKLVYMO-IBGZPJMESA-N 1 0 393.358 5.146 10 0 GKAERO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022936191 570338834 /nfs/dbraw/zinc/33/88/34/570338834.db2.gz ADCJZJXHTOQAOF-LJQANCHMSA-N 1 0 393.358 5.146 10 0 GKAERO Cc1c(C[NH2+][C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315503 570568335 /nfs/dbraw/zinc/56/83/35/570568335.db2.gz VKLUTHUSWCMIPO-SFHVURJKSA-N 1 0 388.942 6.502 10 0 GKAERO COc1cc(Cl)cc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccccc1 ZINC000010475212 570571166 /nfs/dbraw/zinc/57/11/66/570571166.db2.gz LSEGQBOMLIWDIL-UHFFFAOYSA-N 1 0 385.866 5.357 10 0 GKAERO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000012152685 570617976 /nfs/dbraw/zinc/61/79/76/570617976.db2.gz WDNRJUGTJBFNPB-FQEVSTJZSA-N 1 0 394.490 5.097 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013718923 570779506 /nfs/dbraw/zinc/77/95/06/570779506.db2.gz NBIWELDFRCXKPH-UHFFFAOYSA-N 1 0 399.893 5.399 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000013718901 570779626 /nfs/dbraw/zinc/77/96/26/570779626.db2.gz FOIZQZSAIUJENO-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO COc1ccccc1C[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000013720451 570779887 /nfs/dbraw/zinc/77/98/87/570779887.db2.gz YEEVIAAVHZBLKP-UHFFFAOYSA-N 1 0 397.902 5.226 10 0 GKAERO CCCCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013719786 570780163 /nfs/dbraw/zinc/78/01/63/570780163.db2.gz ZEPYHLSLESPFHQ-UHFFFAOYSA-N 1 0 396.358 5.869 10 0 GKAERO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013723104 570780876 /nfs/dbraw/zinc/78/08/76/570780876.db2.gz YOXICNOVMMPGMT-UHFFFAOYSA-N 1 0 379.114 5.641 10 0 GKAERO CCOc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000013724177 570780884 /nfs/dbraw/zinc/78/08/84/570780884.db2.gz XJGTWTDBRGOVPU-UHFFFAOYSA-N 1 0 396.358 6.107 10 0 GKAERO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723682 570781040 /nfs/dbraw/zinc/78/10/40/570781040.db2.gz QKZVFGDGANMUTJ-UHFFFAOYSA-N 1 0 390.354 6.553 10 0 GKAERO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013724618 570781285 /nfs/dbraw/zinc/78/12/85/570781285.db2.gz DMUNVVXTKNVIDC-UHFFFAOYSA-N 1 0 382.331 5.859 10 0 GKAERO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013724265 570781391 /nfs/dbraw/zinc/78/13/91/570781391.db2.gz IHOZWWABJSIAFM-UHFFFAOYSA-N 1 0 382.331 5.717 10 0 GKAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013724256 570781411 /nfs/dbraw/zinc/78/14/11/570781411.db2.gz URSOMYAWMZRYTA-UHFFFAOYSA-N 1 0 379.903 5.593 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013725299 570781422 /nfs/dbraw/zinc/78/14/22/570781422.db2.gz LERKLHDEIBEOED-LJQANCHMSA-N 1 0 379.931 6.030 10 0 GKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000013726138 570781745 /nfs/dbraw/zinc/78/17/45/570781745.db2.gz MTFMAKVWISUTMB-NRFANRHFSA-N 1 0 389.539 5.694 10 0 GKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+][C@H](C)CCc2ccccc2)o1 ZINC000013726587 570781808 /nfs/dbraw/zinc/78/18/08/570781808.db2.gz RGMQNKLCUXVUSA-QGZVFWFLSA-N 1 0 398.344 6.128 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013725613 570781844 /nfs/dbraw/zinc/78/18/44/570781844.db2.gz PWMFSFBHTMENMP-LJQANCHMSA-N 1 0 379.931 6.030 10 0 GKAERO Clc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019362097 570979377 /nfs/dbraw/zinc/97/93/77/570979377.db2.gz KGMOTQLAIDJARN-UHFFFAOYSA-N 1 0 376.931 5.247 10 0 GKAERO CC(C)OCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013721628 210085214 /nfs/dbraw/zinc/08/52/14/210085214.db2.gz UVSRHMPPBQOIQS-UHFFFAOYSA-N 1 0 397.946 5.977 10 0 GKAERO CCCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000013731759 210085699 /nfs/dbraw/zinc/08/56/99/210085699.db2.gz AKLZSPLLJUMVGE-UHFFFAOYSA-N 1 0 382.331 5.861 10 0 GKAERO OCCCCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000013726893 210084990 /nfs/dbraw/zinc/08/49/90/210084990.db2.gz ZMQZIAHBSCWNKE-UHFFFAOYSA-N 1 0 383.919 5.324 10 0 GKAERO CCOc1cc(C[NH2+]CCCOC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013722367 210085041 /nfs/dbraw/zinc/08/50/41/210085041.db2.gz LZHZQXLLINPBOF-UHFFFAOYSA-N 1 0 398.330 5.097 10 0 GKAERO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCCCCO)cc1 ZINC000013727234 210085047 /nfs/dbraw/zinc/08/50/47/210085047.db2.gz CFSCTGCTYGILQT-UHFFFAOYSA-N 1 0 382.331 5.133 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000013720895 210084821 /nfs/dbraw/zinc/08/48/21/210084821.db2.gz FATGKHKMVUPZLM-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO Cc1cc(-c2ccc(C[NH2+][C@@H](C)CCc3ccccc3)o2)ccc1Br ZINC000013726579 210084868 /nfs/dbraw/zinc/08/48/68/210084868.db2.gz WEZQWFQCVHYUKT-KRWDZBQOSA-N 1 0 398.344 6.128 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013724826 210084958 /nfs/dbraw/zinc/08/49/58/210084958.db2.gz BGIBZJGUXQUEHQ-UHFFFAOYSA-N 1 0 386.750 6.504 10 0 GKAERO CCCCOCCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc21 ZINC000013720145 210084391 /nfs/dbraw/zinc/08/43/91/210084391.db2.gz JSLGTBSIPSXQLZ-UHFFFAOYSA-N 1 0 398.978 5.948 10 0 GKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccccc1C ZINC000013726145 210084087 /nfs/dbraw/zinc/08/40/87/210084087.db2.gz KYXTVBPKSRTKDN-NRFANRHFSA-N 1 0 389.539 5.694 10 0 GKAERO CCOc1cc(C[NH2+]CCCOC)ccc1OCc1ccc(Cl)cc1Cl ZINC000013722295 210084190 /nfs/dbraw/zinc/08/41/90/210084190.db2.gz HXIMKFCFYOCAMD-UHFFFAOYSA-N 1 0 398.330 5.097 10 0 GKAERO COc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccccc1 ZINC000013725383 210083968 /nfs/dbraw/zinc/08/39/68/210083968.db2.gz DBXYHCNRRFTCMW-HXUWFJFHSA-N 1 0 375.512 5.385 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013725416 210083757 /nfs/dbraw/zinc/08/37/57/210083757.db2.gz YQRPQADAFZPABR-JOCHJYFZSA-N 1 0 395.546 6.530 10 0 GKAERO C[C@H]1[C@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468155 210062869 /nfs/dbraw/zinc/06/28/69/210062869.db2.gz NTQGEZJOMVFLMK-YCXHYSRHSA-N 1 0 375.487 5.468 10 0 GKAERO CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1[C@H](C)c1ccccc1 ZINC000005285172 209585965 /nfs/dbraw/zinc/58/59/65/209585965.db2.gz BQMGPXXUEVGJCX-JOCHJYFZSA-N 1 0 378.539 7.041 10 0 GKAERO CC[N@@H+]1CCC[C@@H]1CNc1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000028640902 212157881 /nfs/dbraw/zinc/15/78/81/212157881.db2.gz BGOYSVBVQPWARB-JOCHJYFZSA-N 1 0 381.523 5.951 10 0 GKAERO c1ccc(C[N@@H+]2CCC[C@@]23CCN(c2cncc(Oc4ccccc4)c2)C3)cc1 ZINC000090751651 212152464 /nfs/dbraw/zinc/15/24/64/212152464.db2.gz NUEVUAOXOPLASE-VWLOTQADSA-N 1 0 385.511 5.119 10 0 GKAERO COc1ccccc1C1=C(C[NH+](C)C)[C@H](c2ccc(F)cc2)c2ccccc2O1 ZINC000001405943 212061037 /nfs/dbraw/zinc/06/10/37/212061037.db2.gz VZKUKPWZTPYYSF-XMMPIXPASA-N 1 0 389.470 5.332 10 0 GKAERO c1c(-c2ccccc2)noc1N(CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000006096247 204164107 /nfs/dbraw/zinc/16/41/07/204164107.db2.gz XUXAULMFAAVOKM-UHFFFAOYSA-N 1 0 375.516 5.224 10 0 GKAERO Cc1c(C[NH2+]C2CCCC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315509 204333958 /nfs/dbraw/zinc/33/39/58/204333958.db2.gz NTYNAYJTLLBPKC-UHFFFAOYSA-N 1 0 387.354 6.337 10 0 GKAERO COc1cc(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)c1OCc1ccccc1 ZINC000010475336 204335475 /nfs/dbraw/zinc/33/54/75/204335475.db2.gz LHLYLOWUPYKWPZ-UHFFFAOYSA-N 1 0 389.967 6.232 10 0 GKAERO CCCCC[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474803 204335650 /nfs/dbraw/zinc/33/56/50/204335650.db2.gz FBFAQPGAYSTUNY-UHFFFAOYSA-N 1 0 392.337 5.317 10 0 GKAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013724771 204508512 /nfs/dbraw/zinc/50/85/12/204508512.db2.gz LXYMLVORXZMHRH-UHFFFAOYSA-N 1 0 396.358 6.249 10 0 GKAERO COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccc(F)cc1 ZINC000013725501 204509080 /nfs/dbraw/zinc/50/90/80/204509080.db2.gz NTDMUNNSAONERY-IBGZPJMESA-N 1 0 393.502 5.524 10 0 GKAERO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1OCc1ccc(C)cc1 ZINC000013721383 204507348 /nfs/dbraw/zinc/50/73/48/204507348.db2.gz PAQHHYRVXDNEGJ-UHFFFAOYSA-N 1 0 395.930 5.568 10 0 GKAERO CCCCC[NH2+]Cc1cc(Br)c(OCCC)c(Br)c1 ZINC000020926805 204744919 /nfs/dbraw/zinc/74/49/19/204744919.db2.gz WIYLQDVMKBNPSJ-UHFFFAOYSA-N 1 0 393.163 5.280 10 0 GKAERO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(OC)c2OC)cc1 ZINC000036348072 205012958 /nfs/dbraw/zinc/01/29/58/205012958.db2.gz PBURHDSXUFDNQT-DEOSSOPVSA-N 1 0 390.527 5.063 10 0 GKAERO Nc1cccc2c1C[N@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 ZINC000090558144 206297713 /nfs/dbraw/zinc/29/77/13/206297713.db2.gz VFTFKYNCEVBRLI-UHFFFAOYSA-N 1 0 392.493 5.517 10 0 GKAERO c1ccc(C[N@@H+]2CCC[C@]23CCN(c2cncc(Oc4ccccc4)c2)C3)cc1 ZINC000090751652 206298096 /nfs/dbraw/zinc/29/80/96/206298096.db2.gz NUEVUAOXOPLASE-RUZDIDTESA-N 1 0 385.511 5.119 10 0 GKAERO [NH3+][C@H]1CC[C@H](Nc2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)CC1 ZINC000100278613 211386811 /nfs/dbraw/zinc/38/68/11/211386811.db2.gz KSGXPBOKCFZFRE-IYBDPMFKSA-N 1 0 389.330 5.073 10 0 GKAERO O=[S@]1C=CC2=C[N@@H+](C(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000095933072 211284163 /nfs/dbraw/zinc/28/41/63/211284163.db2.gz ABHMCZVAOHKTRD-VAVYLYDRSA-N 1 0 397.543 5.213 10 0 GKAERO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](CC(C)(C)C)CC3)c2)c1 ZINC000012299363 206879123 /nfs/dbraw/zinc/87/91/23/206879123.db2.gz HTQUTGAYJCPVRS-UHFFFAOYSA-N 1 0 380.532 5.059 10 0 GKAERO COc1cccc(-c2nc(C[N@H+](C)[C@@H]3CCCc4ccccc43)c(C)o2)c1OC ZINC000012204424 206869245 /nfs/dbraw/zinc/86/92/45/206869245.db2.gz OFVXYTLFGPPTLM-OAQYLSRUSA-N 1 0 392.499 5.177 10 0 GKAERO CCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874586 207217241 /nfs/dbraw/zinc/21/72/41/207217241.db2.gz GUNFOXGUIPOGLC-UHFFFAOYSA-N 1 0 390.365 6.006 10 0 GKAERO Cc1cc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)ccc1Br ZINC000020875852 207217571 /nfs/dbraw/zinc/21/75/71/207217571.db2.gz YYZVNNRTORCNAQ-UHFFFAOYSA-N 1 0 376.338 6.220 10 0 GKAERO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)c1ccc(Br)s1 ZINC000038002972 207249574 /nfs/dbraw/zinc/24/95/74/207249574.db2.gz OLBUVTXMLMFTJP-NXEZZACHSA-N 1 0 378.257 5.941 10 0 GKAERO C[C@@H]([NH2+][C@H](c1cccs1)c1ccccc1)c1ccc(Br)s1 ZINC000038002888 207250108 /nfs/dbraw/zinc/25/01/08/207250108.db2.gz ASELLROZXJRONX-PXAZEXFGSA-N 1 0 378.360 6.012 10 0 GKAERO c1cc2c(cccc2C[NH2+]C2CCN(c3ccc(-c4cscn4)cc3)CC2)[nH]1 ZINC000023159281 207271192 /nfs/dbraw/zinc/27/11/92/207271192.db2.gz NNBKVZMDZIIZIA-UHFFFAOYSA-N 1 0 388.540 5.050 10 0 GKAERO CCN1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000022936764 207265409 /nfs/dbraw/zinc/26/54/09/207265409.db2.gz ULESRMYHNZKQJF-HSZRJFAPSA-N 1 0 388.555 5.301 10 0 GKAERO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022936320 207265679 /nfs/dbraw/zinc/26/56/79/207265679.db2.gz RJHSSXPNXBVGRU-IBGZPJMESA-N 1 0 393.358 5.146 10 0 GKAERO Cc1ccccc1COc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000040722676 207604714 /nfs/dbraw/zinc/60/47/14/207604714.db2.gz MWBSCYLYIDFCSU-NORFSPMMSA-N 1 0 389.583 6.413 10 0 GKAERO FC(F)(F)SC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000095918399 208239409 /nfs/dbraw/zinc/23/94/09/208239409.db2.gz XOKONRZKJKVURM-INIZCTEOSA-N 1 0 393.396 5.659 10 0 GKAERO CCCCCC1=C(C(C)C)[NH2+]C(C(C)C)=C([C@@H](C)O)[C@H]1c1ccc(F)cc1O ZINC000100130104 208371949 /nfs/dbraw/zinc/37/19/49/208371949.db2.gz VKMHRASEXLDXMS-ZHRRBRCNSA-N 1 0 389.555 5.999 10 0 GKAERO CCCOc1c(C[NH2+][C@@H](C)c2ccccc2)cc(Br)cc1OC ZINC000020934099 210371650 /nfs/dbraw/zinc/37/16/50/210371650.db2.gz YEGWXYITMRNXHI-AWEZNQCLSA-N 1 0 378.310 5.097 10 0 GKAERO Cc1cccc(NC(=O)N(Cc2cccs2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000020408267 210331059 /nfs/dbraw/zinc/33/10/59/210331059.db2.gz MRUZBHBIVRLCII-UHFFFAOYSA-N 1 0 385.577 5.400 10 0 GKAERO CCCOc1ccc(Br)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000020929140 208817762 /nfs/dbraw/zinc/81/77/62/208817762.db2.gz DJPKZISBCDUQMT-UHFFFAOYSA-N 1 0 378.354 5.152 10 0 GKAERO Cc1cccc(C)c1NC(=S)N(CCC[NH+]1CCCCCC1)Cc1ccco1 ZINC000003665616 220665605 /nfs/dbraw/zinc/66/56/05/220665605.db2.gz WYCVLRDKAPNGMV-UHFFFAOYSA-N 1 0 399.604 5.362 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013725126 221283898 /nfs/dbraw/zinc/28/38/98/221283898.db2.gz LKINLXKWCMSLQV-UHFFFAOYSA-N 1 0 375.343 6.275 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000013725836 221283907 /nfs/dbraw/zinc/28/39/07/221283907.db2.gz ZQUCRVYLDLZABZ-IBGZPJMESA-N 1 0 379.931 6.030 10 0 GKAERO CCOc1c(C[NH2+]CCc2ccc(Cl)cc2Cl)cc(Cl)cc1OC ZINC000013723314 221284080 /nfs/dbraw/zinc/28/40/80/221284080.db2.gz VZFRFEPGCZAIFC-UHFFFAOYSA-N 1 0 388.722 5.386 10 0 GKAERO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1OCc1ccc(F)cc1 ZINC000013720994 221284106 /nfs/dbraw/zinc/28/41/06/221284106.db2.gz OGXRBSILJCELQC-UHFFFAOYSA-N 1 0 399.893 5.399 10 0 GKAERO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1OCc1ccccc1 ZINC000013720937 221284201 /nfs/dbraw/zinc/28/42/01/221284201.db2.gz QTYFWDAUAMQILB-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO Clc1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000013723149 221284247 /nfs/dbraw/zinc/28/42/47/221284247.db2.gz VEHWSZCAIQXGLA-UHFFFAOYSA-N 1 0 380.702 6.239 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)c(Cl)c1 ZINC000013722882 221284263 /nfs/dbraw/zinc/28/42/63/221284263.db2.gz WRKSZIPGLOXKNV-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO CC(C)OCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013722077 221284291 /nfs/dbraw/zinc/28/42/91/221284291.db2.gz VAURHGJUSLSEKW-UHFFFAOYSA-N 1 0 382.331 5.477 10 0 GKAERO COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccccc1F ZINC000013725493 221284451 /nfs/dbraw/zinc/28/44/51/221284451.db2.gz GDRXQBFHANNWDW-IBGZPJMESA-N 1 0 393.502 5.524 10 0 GKAERO CCOc1cccc(C[NH2+][C@H](C)CC)c1OCc1ccc(Cl)cc1Cl ZINC000013717556 221284466 /nfs/dbraw/zinc/28/44/66/221284466.db2.gz XTNPUELWEFEWKS-CQSZACIVSA-N 1 0 382.331 5.859 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000013725260 221284567 /nfs/dbraw/zinc/28/45/67/221284567.db2.gz BMGSMYZPARWXTM-IBGZPJMESA-N 1 0 379.931 6.030 10 0 GKAERO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000013724357 221284581 /nfs/dbraw/zinc/28/45/81/221284581.db2.gz DNFRYXFHOPZHIE-UHFFFAOYSA-N 1 0 382.331 5.717 10 0 GKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccccc1 ZINC000013725315 221284678 /nfs/dbraw/zinc/28/46/78/221284678.db2.gz CJVVLGWXUCJJLV-HXUWFJFHSA-N 1 0 375.512 5.385 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013719384 221284752 /nfs/dbraw/zinc/28/47/52/221284752.db2.gz WYZJVCYDHQGCIX-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO COc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000013724268 221284782 /nfs/dbraw/zinc/28/47/82/221284782.db2.gz CFRJBCCPCRZOIR-UHFFFAOYSA-N 1 0 382.331 5.717 10 0 GKAERO OCCCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013727295 221285182 /nfs/dbraw/zinc/28/51/82/221285182.db2.gz ZMWAIDSEPAXWGT-UHFFFAOYSA-N 1 0 391.342 5.249 10 0 GKAERO CCCC[NH+](CCCC)CCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000013733942 221285839 /nfs/dbraw/zinc/28/58/39/221285839.db2.gz HXIUGNYMEDSKBM-UHFFFAOYSA-N 1 0 376.972 5.982 10 0 GKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCCc1ccccc1 ZINC000013726422 221285890 /nfs/dbraw/zinc/28/58/90/221285890.db2.gz VFLHAASPOPEYDV-NRFANRHFSA-N 1 0 389.539 5.428 10 0 GKAERO CCCC[NH+](CCCC)CCCNCc1ccccc1OCc1ccc(C)cc1 ZINC000013733895 221285984 /nfs/dbraw/zinc/28/59/84/221285984.db2.gz OGBXGDHFGCDQOU-UHFFFAOYSA-N 1 0 396.619 5.956 10 0 GKAERO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873850 221515146 /nfs/dbraw/zinc/51/51/46/221515146.db2.gz NLVHWDXXWWIMKQ-UHFFFAOYSA-N 1 0 392.337 5.091 10 0 GKAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000095077392 222328670 /nfs/dbraw/zinc/32/86/70/222328670.db2.gz BVLGTHFDYBQOPI-DLBZAZTESA-N 1 0 389.330 5.073 10 0 GKAERO Cc1c([C@@H](C)[NH2+]Cc2ccc3cc(Cl)ccc3n2)cnn1-c1ccccc1 ZINC000012434636 518186142 /nfs/dbraw/zinc/18/61/42/518186142.db2.gz JNKIMOVEMWHQPU-OAHLLOKOSA-N 1 0 376.891 5.233 10 0 GKAERO COc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874969 570283077 /nfs/dbraw/zinc/28/30/77/570283077.db2.gz QEPQXIHEMLMBSX-UHFFFAOYSA-N 1 0 387.932 5.587 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCc2ccccc2F)cc1 ZINC000020874213 570283166 /nfs/dbraw/zinc/28/31/66/570283166.db2.gz NCRODWGFFILADW-UHFFFAOYSA-N 1 0 399.509 6.199 10 0 GKAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]CCc2ccccc2)o1 ZINC000020875617 570283366 /nfs/dbraw/zinc/28/33/66/570283366.db2.gz GKIZEACDQJGOPY-UHFFFAOYSA-N 1 0 390.708 5.695 10 0 GKAERO Fc1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)cc3Cl)o2)cc1 ZINC000020875675 570283376 /nfs/dbraw/zinc/28/33/76/570283376.db2.gz FHLUIHNXNVQKAU-UHFFFAOYSA-N 1 0 394.671 5.791 10 0 GKAERO CCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876215 570283437 /nfs/dbraw/zinc/28/34/37/570283437.db2.gz WSWGGRXQZXFQQR-UHFFFAOYSA-N 1 0 379.903 5.737 10 0 GKAERO COc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875045 570283467 /nfs/dbraw/zinc/28/34/67/570283467.db2.gz OSKZYLIWOKZFCC-UHFFFAOYSA-N 1 0 387.951 6.048 10 0 GKAERO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876465 570283475 /nfs/dbraw/zinc/28/34/75/570283475.db2.gz BQRXFFWIXHDLKE-CYBMUJFWSA-N 1 0 382.729 5.570 10 0 GKAERO CCCOc1ccc(Br)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000020929495 570288227 /nfs/dbraw/zinc/28/82/27/570288227.db2.gz BAEYYHLCUHZZQI-UHFFFAOYSA-N 1 0 382.729 5.224 10 0 GKAERO COc1c(Br)cc(C[NH2+]C2CCCCCC2)cc1Br ZINC000020927342 570288318 /nfs/dbraw/zinc/28/83/18/570288318.db2.gz BXVWSRYYUSOENA-UHFFFAOYSA-N 1 0 391.147 5.033 10 0 GKAERO CCN1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022936194 570338805 /nfs/dbraw/zinc/33/88/05/570338805.db2.gz ADCJZJXHTOQAOF-IBGZPJMESA-N 1 0 393.358 5.146 10 0 GKAERO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]21 ZINC000004369909 570371442 /nfs/dbraw/zinc/37/14/42/570371442.db2.gz PMGFTIDUJNLRSY-JAYJDBRPSA-N 1 0 397.603 5.613 10 0 GKAERO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000004369907 570371484 /nfs/dbraw/zinc/37/14/84/570371484.db2.gz PMGFTIDUJNLRSY-APFRJGHOSA-N 1 0 397.603 5.613 10 0 GKAERO CCOc1ccc(N(C)c2ccc(/C=C/c3ccc4ccccc4[n+]3C)cc2)cc1 ZINC000005796691 570457408 /nfs/dbraw/zinc/45/74/08/570457408.db2.gz CHFZWJAFARMTKS-UHFFFAOYSA-N 1 0 395.526 6.001 10 0 GKAERO Cc1c(C[NH2+]C(C)(C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315473 570568389 /nfs/dbraw/zinc/56/83/89/570568389.db2.gz RDOZVHMBNMEFSQ-UHFFFAOYSA-N 1 0 375.343 6.193 10 0 GKAERO CC[C@@H](CO)[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315534 570568478 /nfs/dbraw/zinc/56/84/78/570568478.db2.gz ATBZLIZDDPUSKL-KRWDZBQOSA-N 1 0 391.342 5.165 10 0 GKAERO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 ZINC000010473907 570571198 /nfs/dbraw/zinc/57/11/98/570571198.db2.gz VUAPKUJRQYSQTC-QGZVFWFLSA-N 1 0 396.328 5.879 10 0 GKAERO Cc1c(C[NH2+]CCCn2ccnc2)c2ccccc2n1Cc1ccccc1Cl ZINC000039279948 570589298 /nfs/dbraw/zinc/58/92/98/570589298.db2.gz KPLADEUNHFBMEW-UHFFFAOYSA-N 1 0 392.934 5.028 10 0 GKAERO Cc1nn(C)cc1C[NH2+]Cc1cc2ccc(C)cc2nc1-c1cccc(Cl)c1 ZINC000012080286 570605689 /nfs/dbraw/zinc/60/56/89/570605689.db2.gz XQUHMAAATYPTAC-UHFFFAOYSA-N 1 0 390.918 5.195 10 0 GKAERO C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468148 570755295 /nfs/dbraw/zinc/75/52/95/570755295.db2.gz NTQGEZJOMVFLMK-UWCPCEDSSA-N 1 0 375.487 5.468 10 0 GKAERO CC[C@H]1[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468157 570755681 /nfs/dbraw/zinc/75/56/81/570755681.db2.gz JEKQPZGODPLINH-ZYQDXHPFSA-N 1 0 375.487 5.515 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccc(Cl)cc1 ZINC000013717487 570779556 /nfs/dbraw/zinc/77/95/56/570779556.db2.gz FBJVBEDSPFSAOE-UHFFFAOYSA-N 1 0 387.932 5.669 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000013719172 570779589 /nfs/dbraw/zinc/77/95/89/570779589.db2.gz OLTWJNVYTDMCJP-UHFFFAOYSA-N 1 0 376.283 5.594 10 0 GKAERO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccccc1Cl ZINC000013717431 570779716 /nfs/dbraw/zinc/77/97/16/570779716.db2.gz LFHQZGNQGJMTAA-SFHVURJKSA-N 1 0 395.930 6.169 10 0 GKAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000013720605 570780040 /nfs/dbraw/zinc/78/00/40/570780040.db2.gz ZZQREYDEKNVEHB-UHFFFAOYSA-N 1 0 397.902 5.226 10 0 GKAERO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1OCc1ccccc1F ZINC000013720991 570780426 /nfs/dbraw/zinc/78/04/26/570780426.db2.gz ABSMMSSIUGFQSW-UHFFFAOYSA-N 1 0 399.893 5.399 10 0 GKAERO CCOc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccccc1Cl ZINC000013722143 570780516 /nfs/dbraw/zinc/78/05/16/570780516.db2.gz BZWNZRXVZZHRLZ-UHFFFAOYSA-N 1 0 391.939 5.222 10 0 GKAERO CC(C)OCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013721788 570780597 /nfs/dbraw/zinc/78/05/97/570780597.db2.gz PEMDMLRLYRRUSA-UHFFFAOYSA-N 1 0 382.331 5.477 10 0 GKAERO CCOc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccccc1Cl ZINC000013724042 570780943 /nfs/dbraw/zinc/78/09/43/570780943.db2.gz BNBQDPPSTVTHQB-UHFFFAOYSA-N 1 0 399.962 6.298 10 0 GKAERO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000013724348 570781240 /nfs/dbraw/zinc/78/12/40/570781240.db2.gz FUKFCLFBVZJPFE-UHFFFAOYSA-N 1 0 382.331 5.717 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013725295 570781351 /nfs/dbraw/zinc/78/13/51/570781351.db2.gz LERKLHDEIBEOED-IBGZPJMESA-N 1 0 379.931 6.030 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000013724751 570781370 /nfs/dbraw/zinc/78/13/70/570781370.db2.gz BQXPXBDAJKBDNC-UHFFFAOYSA-N 1 0 380.301 5.445 10 0 GKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+][C@@H](C)CCc2ccccc2)o1 ZINC000013726585 570781775 /nfs/dbraw/zinc/78/17/75/570781775.db2.gz RGMQNKLCUXVUSA-KRWDZBQOSA-N 1 0 398.344 6.128 10 0 GKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccccc1F ZINC000013725472 570781827 /nfs/dbraw/zinc/78/18/27/570781827.db2.gz SWTZAXQTYOLUOX-LJQANCHMSA-N 1 0 393.502 5.524 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccc(Cl)cc1 ZINC000013730276 570782763 /nfs/dbraw/zinc/78/27/63/570782763.db2.gz KNRPFJPBEQKRAN-UHFFFAOYSA-N 1 0 382.891 5.003 10 0 GKAERO CCOc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccccc1Cl ZINC000013729810 570782799 /nfs/dbraw/zinc/78/27/99/570782799.db2.gz XEJALIUJNIQEPK-UHFFFAOYSA-N 1 0 387.951 6.130 10 0 GKAERO CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000010436351 570790469 /nfs/dbraw/zinc/79/04/69/570790469.db2.gz BZIFKBXZYSCCJO-UHFFFAOYSA-N 1 0 392.337 5.233 10 0 GKAERO CO[C@@H](C[N@H+](Cc1ccccc1)C(C)(C)C)c1ccc2c(c1)COC(C)(C)O2 ZINC000504466286 231320546 /nfs/dbraw/zinc/32/05/46/231320546.db2.gz CSUJXNKPXMEJCM-QFIPXVFZSA-N 1 0 383.532 5.320 10 0 GKAERO Fc1cccc(C[NH2+]Cc2cc3cc4c(cc3nc2-c2ccsc2)OCO4)c1 ZINC000014974876 210138347 /nfs/dbraw/zinc/13/83/47/210138347.db2.gz KZMUKWOUIZXTBQ-UHFFFAOYSA-N 1 0 392.455 5.121 10 0 GKAERO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)c(C)o2)ccc1F ZINC000014958558 210133500 /nfs/dbraw/zinc/13/35/00/210133500.db2.gz WRFPGOCSFWCYCN-IBGZPJMESA-N 1 0 380.463 5.177 10 0 GKAERO CCOc1cccc(C[NH2+]C2CCCCCCC2)c1OCc1ccccc1F ZINC000013730012 210086490 /nfs/dbraw/zinc/08/64/90/210086490.db2.gz DGGAOMPVAQVYNJ-UHFFFAOYSA-N 1 0 385.523 6.006 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000013721309 210084908 /nfs/dbraw/zinc/08/49/08/210084908.db2.gz PEHHWHMCXJUQAY-UHFFFAOYSA-N 1 0 380.702 6.239 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013725878 210084736 /nfs/dbraw/zinc/08/47/36/210084736.db2.gz NRWZDGVIHDFOIN-SFHVURJKSA-N 1 0 397.921 6.169 10 0 GKAERO COc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccc(Cl)nc1 ZINC000013723816 210084234 /nfs/dbraw/zinc/08/42/34/210084234.db2.gz KEDQPRSUZOJXCQ-UHFFFAOYSA-N 1 0 386.923 5.303 10 0 GKAERO CCOc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccccc1F ZINC000013729908 210084308 /nfs/dbraw/zinc/08/43/08/210084308.db2.gz RDOCWAOXPKUCSI-UHFFFAOYSA-N 1 0 379.475 5.136 10 0 GKAERO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc(Cl)c1OC ZINC000013723044 210084326 /nfs/dbraw/zinc/08/43/26/210084326.db2.gz RMQHEANTAOYJHU-UHFFFAOYSA-N 1 0 388.722 5.386 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000013725059 210083887 /nfs/dbraw/zinc/08/38/87/210083887.db2.gz AOYXWBHVUFEUGA-UHFFFAOYSA-N 1 0 376.338 5.615 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013726719 210083920 /nfs/dbraw/zinc/08/39/20/210083920.db2.gz KRHMMUKSDXQIAE-LJQANCHMSA-N 1 0 379.931 6.030 10 0 GKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000013719954 210083314 /nfs/dbraw/zinc/08/33/14/210083314.db2.gz ORJYIEGCJOFYBZ-UHFFFAOYSA-N 1 0 391.939 5.224 10 0 GKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000013719514 210083396 /nfs/dbraw/zinc/08/33/96/210083396.db2.gz SMWRPJGMSPKKRS-UHFFFAOYSA-N 1 0 391.939 5.224 10 0 GKAERO CCCCCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1 ZINC000013717534 210082907 /nfs/dbraw/zinc/08/29/07/210082907.db2.gz BHTXBDMVNBANFL-UHFFFAOYSA-N 1 0 375.940 5.988 10 0 GKAERO CCCCOCCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013719559 210082522 /nfs/dbraw/zinc/08/25/22/210082522.db2.gz LKNSRQROTNBKPK-UHFFFAOYSA-N 1 0 377.528 5.715 10 0 GKAERO CCOc1ccc(Sc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000002019624 209343337 /nfs/dbraw/zinc/34/33/37/209343337.db2.gz WRBJMWUKYHOUAH-UHFFFAOYSA-N 1 0 381.545 5.072 10 0 GKAERO COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C1CC[NH2+]CC1 ZINC000003938452 209229372 /nfs/dbraw/zinc/22/93/72/209229372.db2.gz KQPGPVTZLJRMCT-UHFFFAOYSA-N 1 0 386.495 5.082 10 0 GKAERO O=C(CCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2 ZINC000000598255 209226408 /nfs/dbraw/zinc/22/64/08/209226408.db2.gz PMBLXLOXUGVTGB-UHFFFAOYSA-N 1 0 376.544 5.310 10 0 investigational GKAERO CCOC(=O)N[C@](CC[NH+]1CCCCC1)(c1cccc2ccccc21)C(C)C ZINC000006403189 203827437 /nfs/dbraw/zinc/82/74/37/203827437.db2.gz ZHIMWDBMMNPPSQ-DEOSSOPVSA-N 1 0 382.548 5.313 10 0 GKAERO CCCN1c2ccccc2O/C1=C\C=C\C=C\c1oc2ccccc2[n+]1CCC ZINC000005139215 204114235 /nfs/dbraw/zinc/11/42/35/204114235.db2.gz APEFGCDSQPXNKG-UHFFFAOYSA-N 1 0 387.503 5.850 10 0 GKAERO Cc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)c3c2CCCC3)cc1 ZINC000005416870 204131158 /nfs/dbraw/zinc/13/11/58/204131158.db2.gz ZUGXTDNUUVRNJY-UHFFFAOYSA-N 1 0 376.523 6.485 10 0 GKAERO C[NH+](C)CCS[C@@H](c1ccccc1)c1ccc(Sc2ccccc2)cc1 ZINC000005689056 204145392 /nfs/dbraw/zinc/14/53/92/204145392.db2.gz NHPYPSAPHMSKFP-QHCPKHFHSA-N 1 0 379.594 6.222 10 0 GKAERO COc1cc(Cl)cc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccccc1 ZINC000010475382 204335542 /nfs/dbraw/zinc/33/55/42/204335542.db2.gz DRQJPFZXSWPIAB-UHFFFAOYSA-N 1 0 381.903 5.526 10 0 GKAERO COc1cccc(-c2nc(C[N@H+](C)[C@H]3CCCc4ccccc43)c(C)o2)c1OC ZINC000012204429 204382730 /nfs/dbraw/zinc/38/27/30/204382730.db2.gz OFVXYTLFGPPTLM-NRFANRHFSA-N 1 0 392.499 5.177 10 0 GKAERO Cc1ccc(COc2ccccc2C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020873575 204741693 /nfs/dbraw/zinc/74/16/93/204741693.db2.gz MODAIHFWQZCSQT-QJRDNGHPSA-N 1 0 389.583 6.269 10 0 GKAERO CN(C(=O)c1ccc(Cl)cc1)C1CCC(c2ccc(C[NH+](C)C)cc2)CC1 ZINC000059696570 206101670 /nfs/dbraw/zinc/10/16/70/206101670.db2.gz WBNUHWUTAHSPER-UHFFFAOYSA-N 1 0 384.951 5.200 10 0 GKAERO Fc1cccc(CC[NH2+]Cc2cc3ccc(F)cc3nc2-c2ccsc2)c1 ZINC000299766510 206186376 /nfs/dbraw/zinc/18/63/76/206186376.db2.gz FCBHJRNYGWRNCJ-UHFFFAOYSA-N 1 0 380.463 5.574 10 0 GKAERO CC[NH2+]Cc1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000040739466 211188654 /nfs/dbraw/zinc/18/86/54/211188654.db2.gz HYOKFKUTTVDDSO-UHFFFAOYSA-N 1 0 389.120 5.444 10 0 GKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCC(C)C)cc1 ZINC000013724461 206994286 /nfs/dbraw/zinc/99/42/86/206994286.db2.gz DAPICLMIZSQILD-UHFFFAOYSA-N 1 0 376.338 5.472 10 0 GKAERO CC(C)CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013724510 206995294 /nfs/dbraw/zinc/99/52/94/206995294.db2.gz MMANEWYWVZBFIA-UHFFFAOYSA-N 1 0 375.343 6.132 10 0 GKAERO COc1ccc(C[NH2+]Cc2c(OCc3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000020874266 207216401 /nfs/dbraw/zinc/21/64/01/207216401.db2.gz CANWPNFJXZGCOJ-UHFFFAOYSA-N 1 0 397.518 6.026 10 0 GKAERO Cc1ccc(COc2ccc(C[NH2+][C@H](C)C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020873696 207216699 /nfs/dbraw/zinc/21/66/99/207216699.db2.gz IKCKVEVALFFIIV-JVAXPSLZSA-N 1 0 389.583 6.269 10 0 GKAERO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000020874297 207217045 /nfs/dbraw/zinc/21/70/45/207217045.db2.gz PKPNWKQBFRZVHT-FQEVSTJZSA-N 1 0 375.512 5.824 10 0 GKAERO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000020874299 207217231 /nfs/dbraw/zinc/21/72/31/207217231.db2.gz PKPNWKQBFRZVHT-HXUWFJFHSA-N 1 0 375.512 5.824 10 0 GKAERO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874954 207217820 /nfs/dbraw/zinc/21/78/20/207217820.db2.gz ACSJCXGLJBXGQB-SFHVURJKSA-N 1 0 395.930 6.087 10 0 GKAERO Cc1cc(-c2ccc(C[NH2+]CCc3ccccc3F)o2)ccc1Br ZINC000020875807 207217836 /nfs/dbraw/zinc/21/78/36/207217836.db2.gz UIAWDIDQLXKCFT-UHFFFAOYSA-N 1 0 388.280 5.489 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OCC ZINC000020931814 207220635 /nfs/dbraw/zinc/22/06/35/207220635.db2.gz ISNQYYMOPTWWAO-UHFFFAOYSA-N 1 0 377.956 5.442 10 0 GKAERO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)c1ccc(Br)s1 ZINC000038002906 207249628 /nfs/dbraw/zinc/24/96/28/207249628.db2.gz OEDQEHALHGKHAI-BXKDBHETSA-N 1 0 388.783 6.052 10 0 GKAERO [NH3+]C1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000095077191 208152131 /nfs/dbraw/zinc/15/21/31/208152131.db2.gz TYMZIBOVJZEECS-UHFFFAOYSA-N 1 0 389.330 5.073 10 0 GKAERO [NH3+]C1CCC(Nc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1 ZINC000095077189 208152568 /nfs/dbraw/zinc/15/25/68/208152568.db2.gz UNEIXTWTHIZDMZ-UHFFFAOYSA-N 1 0 389.330 5.073 10 0 GKAERO Cc1cccc(C)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000095081012 208153395 /nfs/dbraw/zinc/15/33/95/208153395.db2.gz YVILJTVSQJMYFT-UHFFFAOYSA-N 1 0 378.540 7.743 10 0 GKAERO CCCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020930865 210370150 /nfs/dbraw/zinc/37/01/50/210370150.db2.gz YCYOJOYXBSZCJM-UHFFFAOYSA-N 1 0 388.338 6.268 10 0 GKAERO COc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874937 210365618 /nfs/dbraw/zinc/36/56/18/210365618.db2.gz PSTCYPYIDPUNBE-UHFFFAOYSA-N 1 0 381.903 5.526 10 0 GKAERO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875057 210364855 /nfs/dbraw/zinc/36/48/55/210364855.db2.gz CXYYXYJUXJWRGZ-UHFFFAOYSA-N 1 0 395.930 5.834 10 0 GKAERO CCn1c2ccccc2c2cc(C[NH2+]C3CCN(Cc4ccccc4)CC3)ccc21 ZINC000010315384 221100133 /nfs/dbraw/zinc/10/01/33/221100133.db2.gz MJSROBBKFJBIHR-UHFFFAOYSA-N 1 0 397.566 5.569 10 0 GKAERO Cc1c([C@H](C)[NH2+]Cc2ccc(O)c(Cl)c2)cnn1-c1cccc2ccccc21 ZINC000012590802 221211871 /nfs/dbraw/zinc/21/18/71/221211871.db2.gz QNDVWDWMDODNAU-HNNXBMFYSA-N 1 0 391.902 5.544 10 0 GKAERO C[NH+](C)CC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000013684643 221280842 /nfs/dbraw/zinc/28/08/42/221280842.db2.gz JXJCJZNVWYQHIF-QHCPKHFHSA-N 1 0 392.930 5.430 10 0 in-vitro GKAERO CCOc1cccc(C[NH2+]C(C)(C)CC)c1OCc1ccc(Cl)cc1Cl ZINC000013725183 221284002 /nfs/dbraw/zinc/28/40/02/221284002.db2.gz VVTVHGVXFHMROB-UHFFFAOYSA-N 1 0 396.358 6.249 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCOC(C)C)cc1 ZINC000013722026 221284187 /nfs/dbraw/zinc/28/41/87/221284187.db2.gz KKGZYFPVKWWPIZ-UHFFFAOYSA-N 1 0 377.528 5.632 10 0 GKAERO Clc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000013723983 221284289 /nfs/dbraw/zinc/28/42/89/221284289.db2.gz JVNGTDTUJWYMEP-UHFFFAOYSA-N 1 0 390.354 6.553 10 0 GKAERO CCOc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccc(Cl)cc1 ZINC000013722152 221284387 /nfs/dbraw/zinc/28/43/87/221284387.db2.gz SBHNKTIQARWXNP-UHFFFAOYSA-N 1 0 391.939 5.222 10 0 GKAERO CCCCOCCC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000013720070 221284546 /nfs/dbraw/zinc/28/45/46/221284546.db2.gz QEWTZKOMOSTJKR-UHFFFAOYSA-N 1 0 391.555 6.024 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000013721491 221284550 /nfs/dbraw/zinc/28/45/50/221284550.db2.gz YOLDAPZXTAFWHJ-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO CCCCOCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1F ZINC000013720194 221284688 /nfs/dbraw/zinc/28/46/88/221284688.db2.gz RACZIJUNACPARG-UHFFFAOYSA-N 1 0 389.511 5.100 10 0 GKAERO CC(C)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876463 221515138 /nfs/dbraw/zinc/51/51/38/221515138.db2.gz OEDDCLGPPLDZGL-UHFFFAOYSA-N 1 0 382.729 5.427 10 0 GKAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000095077365 222329198 /nfs/dbraw/zinc/32/91/98/222329198.db2.gz VZRSBFXIJNMZNF-IRXDYDNUSA-N 1 0 389.330 5.073 10 0 GKAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000095077364 222329614 /nfs/dbraw/zinc/32/96/14/222329614.db2.gz VZRSBFXIJNMZNF-DLBZAZTESA-N 1 0 389.330 5.073 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000095934663 222361510 /nfs/dbraw/zinc/36/15/10/222361510.db2.gz OFRKRBWJTKWLST-SFTDATJTSA-N 1 0 387.523 5.448 10 0 GKAERO Cc1ccc(CN(C(=O)Nc2cccc(C)c2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000020408264 570254836 /nfs/dbraw/zinc/25/48/36/570254836.db2.gz ANEPCPOCKOEJDI-UHFFFAOYSA-N 1 0 383.536 5.240 10 0 GKAERO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccc(C)cc1 ZINC000020873977 570283141 /nfs/dbraw/zinc/28/31/41/570283141.db2.gz UEZKIGCZHVJKRA-UHFFFAOYSA-N 1 0 379.475 5.054 10 0 GKAERO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 ZINC000020874403 570283172 /nfs/dbraw/zinc/28/31/72/570283172.db2.gz KPSDBTUPTRPCIN-UHFFFAOYSA-N 1 0 375.512 5.571 10 0 GKAERO COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccc(F)cc1Cl ZINC000020876178 570283457 /nfs/dbraw/zinc/28/34/57/570283457.db2.gz WCSMUKWDDFXMIX-MRXNPFEDSA-N 1 0 399.893 5.918 10 0 GKAERO COc1cccc(C[NH2+]C2CCCCCC2)c1OCc1ccc(F)cc1Cl ZINC000020876278 570283469 /nfs/dbraw/zinc/28/34/69/570283469.db2.gz PMQPXUMSGHJQBU-UHFFFAOYSA-N 1 0 391.914 5.879 10 0 GKAERO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1)c1ccccc1 ZINC000020875607 570283488 /nfs/dbraw/zinc/28/34/88/570283488.db2.gz LTPCYXQKMGYRHW-CYBMUJFWSA-N 1 0 390.708 6.213 10 0 GKAERO Cc1cc(-c2ccc(C[NH2+]CCc3ccc(F)cc3)o2)ccc1Br ZINC000020875809 570283490 /nfs/dbraw/zinc/28/34/90/570283490.db2.gz BIYRNRAJPZUVMV-UHFFFAOYSA-N 1 0 388.280 5.489 10 0 GKAERO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000022936860 570338710 /nfs/dbraw/zinc/33/87/10/570338710.db2.gz WYRAOBRVCKMWBC-SFHVURJKSA-N 1 0 393.358 5.146 10 0 GKAERO CCN1CCC[C@@H]1C[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000022936888 570338793 /nfs/dbraw/zinc/33/87/93/570338793.db2.gz MCGPNSNPADXIBH-HXUWFJFHSA-N 1 0 395.978 5.225 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000013719330 570779496 /nfs/dbraw/zinc/77/94/96/570779496.db2.gz OBYJNLKPVRNQEM-UHFFFAOYSA-N 1 0 375.390 5.306 10 0 GKAERO CCOc1cccc(C[NH2+]CCc2ccccc2)c1OCc1ccccc1Cl ZINC000013717454 570779669 /nfs/dbraw/zinc/77/96/69/570779669.db2.gz AHXMPWPEYCTTKN-UHFFFAOYSA-N 1 0 395.930 5.650 10 0 GKAERO CCCCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013719796 570780014 /nfs/dbraw/zinc/78/00/14/570780014.db2.gz FXLXNIHWIOFFHG-UHFFFAOYSA-N 1 0 379.903 5.355 10 0 GKAERO CC(C)OCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013721791 570780459 /nfs/dbraw/zinc/78/04/59/570780459.db2.gz YBHBWIDNBMMBMU-UHFFFAOYSA-N 1 0 382.331 5.477 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000013721314 570780609 /nfs/dbraw/zinc/78/06/09/570780609.db2.gz HBPJSOIFYVCBHZ-UHFFFAOYSA-N 1 0 380.702 6.239 10 0 GKAERO Cc1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)o2)cc1Cl ZINC000013723286 570780809 /nfs/dbraw/zinc/78/08/09/570780809.db2.gz LVKGUIJFLNISNZ-UHFFFAOYSA-N 1 0 394.729 6.548 10 0 GKAERO Clc1cccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)o2)c1 ZINC000013723155 570780893 /nfs/dbraw/zinc/78/08/93/570780893.db2.gz CXGDZXOOHIDSMM-UHFFFAOYSA-N 1 0 380.702 6.239 10 0 GKAERO Clc1ccc(COc2ccc(C[NH2+]CCC3=CCCCC3)cc2)c(Cl)c1 ZINC000013723455 570780903 /nfs/dbraw/zinc/78/09/03/570780903.db2.gz CETVRZKCCBQMMS-UHFFFAOYSA-N 1 0 390.354 6.553 10 0 GKAERO Clc1ccc(COc2ccccc2C[NH2+]CCC2=CCCCC2)c(Cl)c1 ZINC000013723442 570780971 /nfs/dbraw/zinc/78/09/71/570780971.db2.gz USWGHMAMQHAAQD-UHFFFAOYSA-N 1 0 390.354 6.553 10 0 GKAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013724467 570781266 /nfs/dbraw/zinc/78/12/66/570781266.db2.gz PMGAFQMCCIBGAN-UHFFFAOYSA-N 1 0 375.940 5.762 10 0 GKAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000013724250 570781337 /nfs/dbraw/zinc/78/13/37/570781337.db2.gz OSXFQPFEKOBRTN-UHFFFAOYSA-N 1 0 396.358 6.107 10 0 GKAERO COc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1OCc1ccccc1 ZINC000013725379 570781340 /nfs/dbraw/zinc/78/13/40/570781340.db2.gz DBXYHCNRRFTCMW-FQEVSTJZSA-N 1 0 375.512 5.385 10 0 GKAERO CC(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000013724289 570781414 /nfs/dbraw/zinc/78/14/14/570781414.db2.gz COOFPNPTWDFVMN-UHFFFAOYSA-N 1 0 386.750 6.362 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013725882 570781668 /nfs/dbraw/zinc/78/16/68/570781668.db2.gz NRWZDGVIHDFOIN-GOSISDBHSA-N 1 0 397.921 6.169 10 0 GKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000013726141 570781790 /nfs/dbraw/zinc/78/17/90/570781790.db2.gz MTFMAKVWISUTMB-OAQYLSRUSA-N 1 0 389.539 5.694 10 0 GKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000013726570 570781797 /nfs/dbraw/zinc/78/17/97/570781797.db2.gz FKTFPJZEKNPRJD-HXUWFJFHSA-N 1 0 393.958 6.338 10 0 GKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1cccc(C)c1 ZINC000013726134 570781820 /nfs/dbraw/zinc/78/18/20/570781820.db2.gz GGUFXOOPXHNFAQ-OAQYLSRUSA-N 1 0 389.539 5.694 10 0 GKAERO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730690 570782696 /nfs/dbraw/zinc/78/26/96/570782696.db2.gz ROJJBCBVPYBFGO-SNVBAGLBSA-N 1 0 387.115 5.360 10 0 GKAERO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccccc1F ZINC000013729893 570782817 /nfs/dbraw/zinc/78/28/17/570782817.db2.gz IVIHJKYYOWPAQF-SFHVURJKSA-N 1 0 379.475 5.654 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1Cl ZINC000013731744 570783124 /nfs/dbraw/zinc/78/31/24/570783124.db2.gz YWNUOOZITSKNRM-UHFFFAOYSA-N 1 0 382.891 5.003 10 0 GKAERO COc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000010435762 570790604 /nfs/dbraw/zinc/79/06/04/570790604.db2.gz GPCOQWQOVZNIKV-UHFFFAOYSA-N 1 0 398.728 5.188 10 0 GKAERO CC(C)(C)OC(=O)N1CCCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000498051067 570905141 /nfs/dbraw/zinc/90/51/41/570905141.db2.gz IAXKPEINBWEYMS-UHFFFAOYSA-N 1 0 392.543 5.109 10 0 GKAERO CO[C@H](C[N@H+](Cc1ccccc1)C(C)(C)C)c1ccc2c(c1)COC(C)(C)O2 ZINC000504466285 231321343 /nfs/dbraw/zinc/32/13/43/231321343.db2.gz CSUJXNKPXMEJCM-JOCHJYFZSA-N 1 0 383.532 5.320 10 0 GKAERO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730693 210086379 /nfs/dbraw/zinc/08/63/79/210086379.db2.gz ROJJBCBVPYBFGO-JTQLQIEISA-N 1 0 387.115 5.360 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCC2=CCCCC2)cc1 ZINC000013723927 210084587 /nfs/dbraw/zinc/08/45/87/210084587.db2.gz LGJBUSNULFZJGG-UHFFFAOYSA-N 1 0 385.551 6.707 10 0 GKAERO CCOc1cccc(C[NH2+][C@H](C)c2ccccc2)c1OCc1ccccc1F ZINC000013729896 210084424 /nfs/dbraw/zinc/08/44/24/210084424.db2.gz IVIHJKYYOWPAQF-GOSISDBHSA-N 1 0 379.475 5.654 10 0 GKAERO COc1cc(Cl)cc(C[NH2+]CCC2=CCCCC2)c1OCc1ccccc1 ZINC000013724013 210084075 /nfs/dbraw/zinc/08/40/75/210084075.db2.gz NATWCCZOXNLLQC-UHFFFAOYSA-N 1 0 385.935 5.908 10 0 GKAERO CC(C)OCCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013721818 210084159 /nfs/dbraw/zinc/08/41/59/210084159.db2.gz FJJLFVPTOYQSLP-UHFFFAOYSA-N 1 0 381.491 5.463 10 0 GKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013719508 210082992 /nfs/dbraw/zinc/08/29/92/210082992.db2.gz YMDXSRINASVVTI-UHFFFAOYSA-N 1 0 396.358 5.869 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2cccs2)c1OCc1ccccc1Cl ZINC000013717489 210082825 /nfs/dbraw/zinc/08/28/25/210082825.db2.gz GXPTZURMMYRNEO-UHFFFAOYSA-N 1 0 387.932 5.669 10 0 GKAERO Cc1ccc(-c2cc([C@@H]3[C@@H]4CC[C@H](C[C@@H]3c3ccc(Cl)cc3)[N@H+]4C)on2)cc1 ZINC000001491112 212247627 /nfs/dbraw/zinc/24/76/27/212247627.db2.gz AUXUFNHAVGIVDC-WOOVXOMTSA-N 1 0 392.930 6.037 10 0 in-vitro GKAERO c1ccc2cc(-c3cc(NCCC[NH+]4CCCC4)c4ccccc4n3)ccc2c1 ZINC000028642024 212159000 /nfs/dbraw/zinc/15/90/00/212159000.db2.gz SXQCKRYETYUZBK-UHFFFAOYSA-N 1 0 381.523 5.953 10 0 GKAERO CCc1c(Nc2ccc(C)cc2)[nH+]c2ccc(C)cc2c1Nc1ccc(C)cc1 ZINC000005585253 204141850 /nfs/dbraw/zinc/14/18/50/204141850.db2.gz XNQXSPSLINLAAX-UHFFFAOYSA-N 1 0 381.523 7.210 10 0 GKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccccc1C ZINC000013721241 204507239 /nfs/dbraw/zinc/50/72/39/204507239.db2.gz FRRVKQXIVOAJIR-UHFFFAOYSA-N 1 0 395.930 5.568 10 0 GKAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000013719518 204507757 /nfs/dbraw/zinc/50/77/57/204507757.db2.gz KWUVIIKYXJFOIA-UHFFFAOYSA-N 1 0 391.939 5.224 10 0 GKAERO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000022936856 204794551 /nfs/dbraw/zinc/79/45/51/204794551.db2.gz WYRAOBRVCKMWBC-GOSISDBHSA-N 1 0 393.358 5.146 10 0 GKAERO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(OC)c2OC)cc1 ZINC000036348071 205013044 /nfs/dbraw/zinc/01/30/44/205013044.db2.gz PBURHDSXUFDNQT-XMMPIXPASA-N 1 0 390.527 5.063 10 0 GKAERO CCOC(=O)c1cc(-c2ccccc2)cc(C(C)(C)C)[n+]1-c1ccc(Cl)cc1 ZINC000005333777 206606724 /nfs/dbraw/zinc/60/67/24/206606724.db2.gz TXRMWBJETLWLKC-UHFFFAOYSA-N 1 0 394.922 5.758 10 0 GKAERO Cc1ccc(CNc2nc3ccccc3c(NCc3ccccc3Cl)n2)cc1 ZINC000072260592 211083676 /nfs/dbraw/zinc/08/36/76/211083676.db2.gz CXULBHCJEAVSPM-UHFFFAOYSA-N 1 0 388.902 5.816 10 0 GKAERO CCCCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315569 206811737 /nfs/dbraw/zinc/81/17/37/206811737.db2.gz QVLSYOPLEAGPEE-UHFFFAOYSA-N 1 0 389.370 6.585 10 0 GKAERO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCc1ccc(C)cc1 ZINC000020874396 207215970 /nfs/dbraw/zinc/21/59/70/207215970.db2.gz LBRPNERSSAOUIS-UHFFFAOYSA-N 1 0 383.576 6.277 10 0 GKAERO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 ZINC000020874356 207216220 /nfs/dbraw/zinc/21/62/20/207216220.db2.gz QMXJEHDRHNGTTO-UHFFFAOYSA-N 1 0 393.502 5.444 10 0 GKAERO CCOc1cc(C[NH2+]Cc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874796 207216693 /nfs/dbraw/zinc/21/66/93/207216693.db2.gz KSKKFNKRJXVWBQ-UHFFFAOYSA-N 1 0 395.930 5.916 10 0 GKAERO CCCCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874857 207216739 /nfs/dbraw/zinc/21/67/39/207216739.db2.gz ZRIFKORVESDKHZ-UHFFFAOYSA-N 1 0 389.967 6.296 10 0 GKAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020875074 207217618 /nfs/dbraw/zinc/21/76/18/207217618.db2.gz JRHCRJWVFBVBLH-UHFFFAOYSA-N 1 0 395.974 6.286 10 0 GKAERO CCN1CCC[C@@H]1C[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022936375 207265224 /nfs/dbraw/zinc/26/52/24/207265224.db2.gz DXKPAFUONJMSEU-JOCHJYFZSA-N 1 0 392.518 5.132 10 0 GKAERO OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000028878336 207349380 /nfs/dbraw/zinc/34/93/80/207349380.db2.gz KEAJISWSTUQSFY-UHFFFAOYSA-N 1 0 382.507 5.319 10 0 GKAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000095077367 208151710 /nfs/dbraw/zinc/15/17/10/208151710.db2.gz VZRSBFXIJNMZNF-SJORKVTESA-N 1 0 389.330 5.073 10 0 GKAERO Cc1ccc(C2=CC=CC[C@]2(C)[PH+](C2CCCCC2)C2CCCCC2)c(C)c1 ZINC000095081010 208152514 /nfs/dbraw/zinc/15/25/14/208152514.db2.gz YNILVARTXNJCJT-MHZLTWQESA-N 1 0 394.583 8.553 10 0 GKAERO [NH3+][C@H](c1cc(Br)ccc1Br)c1c(F)cccc1Cl ZINC000021814460 210395287 /nfs/dbraw/zinc/39/52/87/210395287.db2.gz XXQFMAXJHDJJLQ-CYBMUJFWSA-N 1 0 393.481 5.052 10 0 GKAERO CCCOc1ccc2ccccc2c1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000020930488 210371773 /nfs/dbraw/zinc/37/17/73/210371773.db2.gz PMHNQSUFSQYCIJ-JZHSQQRGSA-N 1 0 377.572 6.467 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2)cc1OCC ZINC000020932172 210371291 /nfs/dbraw/zinc/37/12/91/210371291.db2.gz IIPHYNJHFVTTBH-UHFFFAOYSA-N 1 0 382.331 5.513 10 0 GKAERO COc1ccccc1CN(C(=O)Nc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020568219 210348412 /nfs/dbraw/zinc/34/84/12/210348412.db2.gz ZEDDWLOYGWOBTC-UHFFFAOYSA-N 1 0 395.547 5.039 10 0 GKAERO CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000010435953 221102393 /nfs/dbraw/zinc/10/23/93/221102393.db2.gz XWLXPVGVAGHWSE-UHFFFAOYSA-N 1 0 396.300 5.064 10 0 GKAERO Clc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCc1ccccc1 ZINC000010475276 221103528 /nfs/dbraw/zinc/10/35/28/221103528.db2.gz GZAYWAIZUZSJNJ-UHFFFAOYSA-N 1 0 390.914 5.733 10 0 GKAERO Cc1c([C@H](C)[NH2+]Cc2ccc3cc(Cl)ccc3n2)cnn1-c1ccccc1 ZINC000012434637 221194038 /nfs/dbraw/zinc/19/40/38/221194038.db2.gz JNKIMOVEMWHQPU-HNNXBMFYSA-N 1 0 376.891 5.233 10 0 GKAERO Cc1c([C@@H](C)[NH2+]Cc2ccc(O)c(Cl)c2)cnn1-c1cccc2ccccc21 ZINC000012590794 221210916 /nfs/dbraw/zinc/21/09/16/221210916.db2.gz QNDVWDWMDODNAU-OAHLLOKOSA-N 1 0 391.902 5.544 10 0 GKAERO COc1ccccc1C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013720297 221283887 /nfs/dbraw/zinc/28/38/87/221283887.db2.gz IRETYGJDGSUPPF-UHFFFAOYSA-N 1 0 383.491 5.717 10 0 GKAERO CCOc1cc(C[NH2+]CCc2ccccc2OC)ccc1OCc1ccccc1 ZINC000013718730 221283963 /nfs/dbraw/zinc/28/39/63/221283963.db2.gz SFZLRKPAVXKKRD-UHFFFAOYSA-N 1 0 391.511 5.005 10 0 GKAERO CCOc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccccc1 ZINC000013725517 221284166 /nfs/dbraw/zinc/28/41/66/221284166.db2.gz LJDCWHLYEZFXFV-NRFANRHFSA-N 1 0 389.539 5.775 10 0 GKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccccc1F ZINC000013725468 221284327 /nfs/dbraw/zinc/28/43/27/221284327.db2.gz SWTZAXQTYOLUOX-IBGZPJMESA-N 1 0 393.502 5.524 10 0 GKAERO CCOc1cccc(C[NH2+]C2CCCC2)c1OCc1ccc(Cl)cc1Cl ZINC000013717444 221284334 /nfs/dbraw/zinc/28/43/34/221284334.db2.gz JZWVCWVAXBKZEW-UHFFFAOYSA-N 1 0 394.342 6.003 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000013724739 221284424 /nfs/dbraw/zinc/28/44/24/221284424.db2.gz DBBLLJFQSFSDRP-UHFFFAOYSA-N 1 0 380.301 5.445 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000013725256 221284618 /nfs/dbraw/zinc/28/46/18/221284618.db2.gz MICGAHOUAODQGN-LJQANCHMSA-N 1 0 379.931 6.030 10 0 GKAERO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000013719552 221284627 /nfs/dbraw/zinc/28/46/27/221284627.db2.gz AXIKIKHNFLBHMB-UHFFFAOYSA-N 1 0 391.939 5.224 10 0 GKAERO CCOc1cccc(C[NH2+]C(C)(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013730067 221285297 /nfs/dbraw/zinc/28/52/97/221285297.db2.gz UJDVWIZCFYXUOM-UHFFFAOYSA-N 1 0 382.331 5.859 10 0 GKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1cccc(C)c1 ZINC000013726130 221285442 /nfs/dbraw/zinc/28/54/42/221285442.db2.gz GGUFXOOPXHNFAQ-NRFANRHFSA-N 1 0 389.539 5.694 10 0 GKAERO C[C@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)c1ccc(Br)s1 ZINC000038002905 221877111 /nfs/dbraw/zinc/87/71/11/221877111.db2.gz OEDQEHALHGKHAI-JOYOIKCWSA-N 1 0 388.783 6.052 10 0 GKAERO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084670801 222318978 /nfs/dbraw/zinc/31/89/78/222318978.db2.gz RJNGJYWAIUJHOJ-KKFSNPNRSA-N 1 0 387.696 7.435 10 0 in-vitro GKAERO CCc1ccccc1NC(=O)N(Cc1ccc(C)o1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020213616 521884562 /nfs/dbraw/zinc/88/45/62/521884562.db2.gz BYSSTLGOMXCFQA-UHFFFAOYSA-N 1 0 397.563 5.494 10 0 GKAERO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874956 570282987 /nfs/dbraw/zinc/28/29/87/570282987.db2.gz ACSJCXGLJBXGQB-GOSISDBHSA-N 1 0 395.930 6.087 10 0 GKAERO COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875010 570283159 /nfs/dbraw/zinc/28/31/59/570283159.db2.gz DGOVSUOCCNAWIV-UHFFFAOYSA-N 1 0 399.893 5.665 10 0 GKAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCc2ccc(F)cc2)o1 ZINC000020875939 570283335 /nfs/dbraw/zinc/28/33/35/570283335.db2.gz HHMUFVHOKKXUCJ-UHFFFAOYSA-N 1 0 388.280 5.489 10 0 GKAERO C[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1)c1ccccc1 ZINC000020875609 570283417 /nfs/dbraw/zinc/28/34/17/570283417.db2.gz LTPCYXQKMGYRHW-ZDUSSCGKSA-N 1 0 390.708 6.213 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+]C(C)(C)CC)cc1Br ZINC000020927043 570284865 /nfs/dbraw/zinc/28/48/65/570284865.db2.gz CLVQPKWBLDYNMB-UHFFFAOYSA-N 1 0 393.163 5.279 10 0 GKAERO CCCCC[NH2+]Cc1cc(Br)cc(Br)c1OCCC ZINC000020929705 570285387 /nfs/dbraw/zinc/28/53/87/570285387.db2.gz PYCLHXRRCPMGIL-UHFFFAOYSA-N 1 0 393.163 5.280 10 0 GKAERO CCCOc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)CC ZINC000020929956 570285416 /nfs/dbraw/zinc/28/54/16/570285416.db2.gz TWRRPBWPDSBLDV-UHFFFAOYSA-N 1 0 393.163 5.279 10 0 GKAERO CC(C)(C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876408 570287912 /nfs/dbraw/zinc/28/79/12/570287912.db2.gz QJVGLLNHZHWKMC-UHFFFAOYSA-N 1 0 382.729 5.570 10 0 GKAERO CCCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccccc2)cc1OC ZINC000020932735 570288299 /nfs/dbraw/zinc/28/82/99/570288299.db2.gz NXNIZRUJDIKAEA-AWEZNQCLSA-N 1 0 378.310 5.097 10 0 GKAERO CCCOc1ccc(Br)cc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000020929529 570288327 /nfs/dbraw/zinc/28/83/27/570288327.db2.gz MOUZSRMEOLDZAP-INIZCTEOSA-N 1 0 376.338 5.349 10 0 GKAERO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034682754 570300597 /nfs/dbraw/zinc/30/05/97/570300597.db2.gz RWWWVQBCIHNRMI-UHFFFAOYSA-N 1 0 388.914 5.277 10 0 GKAERO Cc1c(C[NH2+]Cc2ccc(C)cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010315661 570568317 /nfs/dbraw/zinc/56/83/17/570568317.db2.gz MSZALSRGZVBXPT-UHFFFAOYSA-N 1 0 388.942 6.250 10 0 GKAERO CC[C@H](CO)[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315535 570568430 /nfs/dbraw/zinc/56/84/30/570568430.db2.gz ATBZLIZDDPUSKL-QGZVFWFLSA-N 1 0 391.342 5.165 10 0 GKAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCn2ccnc2)cc1 ZINC000010314122 570568529 /nfs/dbraw/zinc/56/85/29/570568529.db2.gz RCUHUWDRZRZAJG-UHFFFAOYSA-N 1 0 385.511 5.104 10 0 GKAERO CCOc1c(Cl)cc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Cl ZINC000010436619 570570650 /nfs/dbraw/zinc/57/06/50/570570650.db2.gz KJDJVBBLYKNDSX-LVBDODCMSA-N 1 0 382.375 6.231 10 0 GKAERO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000013717426 570779091 /nfs/dbraw/zinc/77/90/91/570779091.db2.gz RKUOVYNAVGKAFX-SFHVURJKSA-N 1 0 395.930 6.169 10 0 GKAERO CCOc1cc(C[NH2+]Cc2ccccc2OC)ccc1OCc1ccc(C)cc1 ZINC000013720731 570779829 /nfs/dbraw/zinc/77/98/29/570779829.db2.gz YHFGDXUPHCBWOW-UHFFFAOYSA-N 1 0 391.511 5.271 10 0 GKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccccc1F ZINC000013720980 570780473 /nfs/dbraw/zinc/78/04/73/570780473.db2.gz MOWZQNJQCQQIJW-UHFFFAOYSA-N 1 0 399.893 5.399 10 0 GKAERO COc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013723948 570780804 /nfs/dbraw/zinc/78/08/04/570780804.db2.gz QKQHYNSGVAZHSN-UHFFFAOYSA-N 1 0 399.962 6.216 10 0 GKAERO Fc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCC1=CCCCC1 ZINC000013723712 570780934 /nfs/dbraw/zinc/78/09/34/570780934.db2.gz FGKWBPYENNQHLO-UHFFFAOYSA-N 1 0 389.514 6.538 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)c(Cl)c1 ZINC000013723270 570780937 /nfs/dbraw/zinc/78/09/37/570780937.db2.gz JVPGRQPFXXIBDS-UHFFFAOYSA-N 1 0 380.702 6.239 10 0 GKAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)ccc1OCc1ccccc1 ZINC000013725311 570781305 /nfs/dbraw/zinc/78/13/05/570781305.db2.gz CJVVLGWXUCJJLV-FQEVSTJZSA-N 1 0 375.512 5.385 10 0 GKAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013724783 570781336 /nfs/dbraw/zinc/78/13/36/570781336.db2.gz RGTJTFYPKAYSEF-UHFFFAOYSA-N 1 0 379.903 5.735 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000013724799 570781383 /nfs/dbraw/zinc/78/13/83/570781383.db2.gz AKJQVHWYMGZJOC-UHFFFAOYSA-N 1 0 382.331 5.859 10 0 GKAERO CCC(C)(C)[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000013724912 570781395 /nfs/dbraw/zinc/78/13/95/570781395.db2.gz DUZQBZHBFGROMT-UHFFFAOYSA-N 1 0 382.331 5.859 10 0 GKAERO CC(C)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000013724492 570781470 /nfs/dbraw/zinc/78/14/70/570781470.db2.gz YAXXCCGBSVRKCD-UHFFFAOYSA-N 1 0 396.756 5.817 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013725874 570781737 /nfs/dbraw/zinc/78/17/37/570781737.db2.gz FFDFQGOQODETOW-GOSISDBHSA-N 1 0 397.921 6.169 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013725412 570781824 /nfs/dbraw/zinc/78/18/24/570781824.db2.gz YQRPQADAFZPABR-QFIPXVFZSA-N 1 0 395.546 6.530 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccc(Cl)cc1 ZINC000013731741 570783074 /nfs/dbraw/zinc/78/30/74/570783074.db2.gz BZUQRGXGUPVPNC-UHFFFAOYSA-N 1 0 382.891 5.003 10 0 GKAERO CCOc1c(Br)cc(C[NH2+]C2CCCCC2)cc1Br ZINC000010436518 570790641 /nfs/dbraw/zinc/79/06/41/570790641.db2.gz SLRIQNVVBMEWNV-UHFFFAOYSA-N 1 0 391.147 5.033 10 0 GKAERO Clc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)c(Cl)c1 ZINC000013722761 570863578 /nfs/dbraw/zinc/86/35/78/570863578.db2.gz OAIWCFRFWHPFGE-UHFFFAOYSA-N 1 0 386.322 5.905 10 0 GKAERO COc1cc(C[NH2+]CCC2=CCCCC2)cc(Cl)c1OCc1ccccc1 ZINC000013723661 210085156 /nfs/dbraw/zinc/08/51/56/210085156.db2.gz ORXBBGRQVHWDKJ-UHFFFAOYSA-N 1 0 385.935 5.908 10 0 GKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCCc1ccccc1 ZINC000013726427 210085188 /nfs/dbraw/zinc/08/51/88/210085188.db2.gz VFLHAASPOPEYDV-OAQYLSRUSA-N 1 0 389.539 5.428 10 0 GKAERO CCOc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccccc1 ZINC000013725521 210085218 /nfs/dbraw/zinc/08/52/18/210085218.db2.gz LJDCWHLYEZFXFV-OAQYLSRUSA-N 1 0 389.539 5.775 10 0 GKAERO CCCC[NH+](CCCC)CCCNCc1cc(Br)ccc1OCC ZINC000013733666 210086596 /nfs/dbraw/zinc/08/65/96/210086596.db2.gz LBQMEWQSDALJTF-UHFFFAOYSA-N 1 0 399.417 5.230 10 0 GKAERO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)o1 ZINC000013723173 210084976 /nfs/dbraw/zinc/08/49/76/210084976.db2.gz JKYYKMMKOHZYKP-UHFFFAOYSA-N 1 0 394.729 6.548 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000013724795 210085074 /nfs/dbraw/zinc/08/50/74/210085074.db2.gz NITTUFIRDRJUKB-UHFFFAOYSA-N 1 0 382.331 5.859 10 0 GKAERO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH2+]CCCOC(C)C)cc1 ZINC000013722023 210084664 /nfs/dbraw/zinc/08/46/64/210084664.db2.gz UCCLXOSOOGQJKA-UHFFFAOYSA-N 1 0 396.358 5.786 10 0 GKAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)ccc1OCc1ccccc1C ZINC000013726149 210084549 /nfs/dbraw/zinc/08/45/49/210084549.db2.gz KYXTVBPKSRTKDN-OAQYLSRUSA-N 1 0 389.539 5.694 10 0 GKAERO COc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccc(C)cc1 ZINC000013726502 210084241 /nfs/dbraw/zinc/08/42/41/210084241.db2.gz XAJYNTPOZSTYHC-OAQYLSRUSA-N 1 0 389.539 5.694 10 0 GKAERO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1Cl ZINC000013723351 210084048 /nfs/dbraw/zinc/08/40/48/210084048.db2.gz HYADSIXASUPTCW-UHFFFAOYSA-N 1 0 393.141 6.031 10 0 GKAERO CCOc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccccc1F ZINC000013724045 210084175 /nfs/dbraw/zinc/08/41/75/210084175.db2.gz CFAJYHYXKNEIBF-UHFFFAOYSA-N 1 0 383.507 5.784 10 0 GKAERO CCOc1cc(C[NH2+]C(C)(C)CC)cc(Cl)c1OCc1ccccc1F ZINC000013724787 210083816 /nfs/dbraw/zinc/08/38/16/210083816.db2.gz SONGTZQZOAVSFB-UHFFFAOYSA-N 1 0 379.903 5.735 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000013725637 210083856 /nfs/dbraw/zinc/08/38/56/210083856.db2.gz YAXQLJLYBLJOLY-LJQANCHMSA-N 1 0 379.931 6.030 10 0 GKAERO CCCCOCCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013719828 210082861 /nfs/dbraw/zinc/08/28/61/210082861.db2.gz PBSJXXVFJUPWDY-UHFFFAOYSA-N 1 0 395.518 5.854 10 0 GKAERO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000012152684 209915592 /nfs/dbraw/zinc/91/55/92/209915592.db2.gz WDNRJUGTJBFNPB-HXUWFJFHSA-N 1 0 394.490 5.097 10 0 GKAERO CCOc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000010436564 209860502 /nfs/dbraw/zinc/86/05/02/209860502.db2.gz PHCQPIITPKBXDV-RWLLOJOVSA-N 1 0 392.381 5.542 10 0 GKAERO CCOc1c(Cl)cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000010436572 209860348 /nfs/dbraw/zinc/86/03/48/209860348.db2.gz RNCBNPUDLLRLSH-BUBBNXEVSA-N 1 0 382.375 6.087 10 0 GKAERO CC[n+]1ccc(C(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000002144599 209347859 /nfs/dbraw/zinc/34/78/59/209347859.db2.gz NTVRCCRZGGNMGY-UHFFFAOYSA-N 1 0 392.566 5.960 10 0 GKAERO CCCCCC[NH+]1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000090440360 209238179 /nfs/dbraw/zinc/23/81/79/209238179.db2.gz CNDGDPNYGSGODU-UHFFFAOYSA-N 1 0 389.342 5.108 10 0 GKAERO CC[N@@H+]1CCC[C@H]1CNc1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000028640903 212158709 /nfs/dbraw/zinc/15/87/09/212158709.db2.gz BGOYSVBVQPWARB-QFIPXVFZSA-N 1 0 381.523 5.951 10 0 GKAERO c1n(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)[n+]1-c1ccccc1 ZINC000005482937 212148271 /nfs/dbraw/zinc/14/82/71/212148271.db2.gz SCWKQFMGFKBVNV-UHFFFAOYSA-N 1 0 387.506 6.147 10 0 GKAERO c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccncc3)c(-c3ccccc3)c2)cc1 ZINC000005332053 204125559 /nfs/dbraw/zinc/12/55/59/204125559.db2.gz SEPUTUARABZRPM-UHFFFAOYSA-N 1 0 385.490 6.359 10 0 GKAERO Clc1ccc(Cn2cc(C[NH2+]C3CCCCC3)c3ccccc32)c(Cl)c1 ZINC000010315469 204333919 /nfs/dbraw/zinc/33/39/19/204333919.db2.gz XHOJVNMBTPRRID-UHFFFAOYSA-N 1 0 387.354 6.419 10 0 GKAERO COCC[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000010315648 204333923 /nfs/dbraw/zinc/33/39/23/204333923.db2.gz NKXROMWFGHXUOY-UHFFFAOYSA-N 1 0 377.315 5.041 10 0 GKAERO CCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1Br ZINC000010436611 204334344 /nfs/dbraw/zinc/33/43/44/204334344.db2.gz RVHFLGXBXIVXFH-SHYIKFMPSA-N 1 0 392.381 5.686 10 0 GKAERO Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)n1 ZINC000012135918 204373741 /nfs/dbraw/zinc/37/37/41/204373741.db2.gz QUDOFIPEDCLSHP-XPUAEESYSA-N 1 0 387.502 5.484 10 0 GKAERO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc3cc(Cl)ccc3n2)C1 ZINC000012308120 204393723 /nfs/dbraw/zinc/39/37/23/204393723.db2.gz VMRSRYPFHSDYDM-XMMPIXPASA-N 1 0 394.946 5.096 10 0 GKAERO CCN1CCC[C@H]1C[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000022936890 204794274 /nfs/dbraw/zinc/79/42/74/204794274.db2.gz MCGPNSNPADXIBH-FQEVSTJZSA-N 1 0 395.978 5.225 10 0 GKAERO CC(C)c1ccccc1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000071789846 211062560 /nfs/dbraw/zinc/06/25/60/211062560.db2.gz PQWWLQRSCJJOIS-UHFFFAOYSA-N 1 0 392.567 8.250 10 0 GKAERO CC[C@H]1[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C[C@@]1(O)c1ccc(F)cc1 ZINC000013468159 206976505 /nfs/dbraw/zinc/97/65/05/206976505.db2.gz JEKQPZGODPLINH-FQUZAXHOSA-N 1 0 375.487 5.515 10 0 GKAERO COc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013722043 206995034 /nfs/dbraw/zinc/99/50/34/206995034.db2.gz IQBVSBCMRWPKQK-UHFFFAOYSA-N 1 0 391.939 5.141 10 0 GKAERO CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000020874307 207216575 /nfs/dbraw/zinc/21/65/75/207216575.db2.gz XKTDDUZGHXQYRB-UHFFFAOYSA-N 1 0 375.512 5.305 10 0 GKAERO Cc1ccc(COc2ccc(C[NH2+][C@@H](C)C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020873698 207216653 /nfs/dbraw/zinc/21/66/53/207216653.db2.gz IKCKVEVALFFIIV-PQOZHWIHSA-N 1 0 389.583 6.269 10 0 GKAERO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1OC ZINC000020876585 207218086 /nfs/dbraw/zinc/21/80/86/207218086.db2.gz DACHDBLIOYMMOM-UHFFFAOYSA-N 1 0 385.891 5.258 10 0 GKAERO CCCOc1c(C[NH2+]C(C)(C)CC(C)(C)C)cc(Br)cc1OC ZINC000020934322 207220654 /nfs/dbraw/zinc/22/06/54/207220654.db2.gz DMJYKWVRYFVZKP-UHFFFAOYSA-N 1 0 386.374 5.551 10 0 GKAERO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](C1Cc3ccccc3C1)C2 ZINC000023129078 207270524 /nfs/dbraw/zinc/27/05/24/207270524.db2.gz INTZTNXMTCXSRM-UHFFFAOYSA-N 1 0 391.898 5.074 10 0 GKAERO Cc1cc(C)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(C)c1 ZINC000090376259 208112299 /nfs/dbraw/zinc/11/22/99/208112299.db2.gz JYAMVRZHSHNQDT-UHFFFAOYSA-N 1 0 392.567 8.051 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1OCC ZINC000020932220 210370705 /nfs/dbraw/zinc/37/07/05/210370705.db2.gz NXOMLZPRSDTIKC-QGZVFWFLSA-N 1 0 375.940 5.638 10 0 GKAERO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876467 210364177 /nfs/dbraw/zinc/36/41/77/210364177.db2.gz BQRXFFWIXHDLKE-ZDUSSCGKSA-N 1 0 382.729 5.570 10 0 GKAERO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(Br)c(C)c3)o2)cc1 ZINC000020875858 210364255 /nfs/dbraw/zinc/36/42/55/210364255.db2.gz SZRYVVGXUSTYLW-UHFFFAOYSA-N 1 0 386.289 5.316 10 0 GKAERO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)c1OCc1ccccc1 ZINC000010473886 221103601 /nfs/dbraw/zinc/10/36/01/221103601.db2.gz XBFUHTLFDJVLOL-KRWDZBQOSA-N 1 0 381.903 5.778 10 0 GKAERO Brc1cc(C[NH2+]C2CCCCCC2)ccc1OCc1ccccc1 ZINC000010475308 221103922 /nfs/dbraw/zinc/10/39/22/221103922.db2.gz BDAIMOJAKCMOMC-UHFFFAOYSA-N 1 0 388.349 5.841 10 0 GKAERO CC[C@H](C)[NH2+]Cc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315580 221099995 /nfs/dbraw/zinc/09/99/95/221099995.db2.gz UIXMBKNMNQSRAY-AWEZNQCLSA-N 1 0 375.343 6.193 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000013725840 221284176 /nfs/dbraw/zinc/28/41/76/221284176.db2.gz ZQUCRVYLDLZABZ-LJQANCHMSA-N 1 0 379.931 6.030 10 0 GKAERO CC(C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000013724204 221284283 /nfs/dbraw/zinc/28/42/83/221284283.db2.gz HJTVYZSCTBPPMO-UHFFFAOYSA-N 1 0 396.756 5.817 10 0 GKAERO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]CCC2=CCCCC2)c1 ZINC000013723685 221284351 /nfs/dbraw/zinc/28/43/51/221284351.db2.gz DQJYNEWHWSFNHP-UHFFFAOYSA-N 1 0 390.354 6.553 10 0 GKAERO COc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1OCc1ccccc1F ZINC000013725497 221284383 /nfs/dbraw/zinc/28/43/83/221284383.db2.gz GDRXQBFHANNWDW-LJQANCHMSA-N 1 0 393.502 5.524 10 0 GKAERO CCCC[NH+](CCCC)CCCNCc1cc(Cl)cc(Cl)c1OCC ZINC000013733777 221285173 /nfs/dbraw/zinc/28/51/73/221285173.db2.gz XHUNAEXWDQMJEG-UHFFFAOYSA-N 1 0 389.411 5.774 10 0 GKAERO CC[NH+](CC)CCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013734317 221286068 /nfs/dbraw/zinc/28/60/68/221286068.db2.gz AVVKZSZMXABXLG-UHFFFAOYSA-N 1 0 395.374 5.394 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccccc2)c1OCc1ccccc1Cl ZINC000013729751 221286098 /nfs/dbraw/zinc/28/60/98/221286098.db2.gz BNQOOMZJNGCWLQ-UHFFFAOYSA-N 1 0 381.903 5.608 10 0 GKAERO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+]Cc2ccsc2)c1 ZINC000015007600 221325858 /nfs/dbraw/zinc/32/58/58/221325858.db2.gz YAFNGHDVNCCRCQ-UHFFFAOYSA-N 1 0 378.472 5.401 10 0 GKAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1cc(Cl)ccc1Cl ZINC000095077373 222328981 /nfs/dbraw/zinc/32/89/81/222328981.db2.gz XHBUMGRWQAUIAX-IRXDYDNUSA-N 1 0 389.330 5.073 10 0 GKAERO c1cc2c(s1)C[N@H+](C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2 ZINC000095093217 222330683 /nfs/dbraw/zinc/33/06/83/222330683.db2.gz CEJDAUDGCKNHSX-UHFFFAOYSA-N 1 0 381.544 6.098 10 0 GKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2cccnc2)cc1 ZINC000020874566 570283029 /nfs/dbraw/zinc/28/30/29/570283029.db2.gz FVKCUQDKUARZJO-UHFFFAOYSA-N 1 0 397.316 5.021 10 0 GKAERO Cc1ccc(COc2ccccc2C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000020873581 570283081 /nfs/dbraw/zinc/28/30/81/570283081.db2.gz VKFYFYPSWBIUGI-NORFSPMMSA-N 1 0 389.583 6.413 10 0 GKAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccccc2)cc1 ZINC000020874531 570283145 /nfs/dbraw/zinc/28/31/45/570283145.db2.gz JBSRWHSHXDSGSM-UHFFFAOYSA-N 1 0 396.328 5.626 10 0 GKAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000020930254 570285241 /nfs/dbraw/zinc/28/52/41/570285241.db2.gz FOMOFHILPHXWCD-UHFFFAOYSA-N 1 0 377.315 5.596 10 0 GKAERO CCCOc1c(Cl)cc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OCC ZINC000020932031 570285358 /nfs/dbraw/zinc/28/53/58/570285358.db2.gz ZAFOHODXWLLRFL-UHFFFAOYSA-N 1 0 386.923 5.341 10 0 GKAERO CCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874723 570287862 /nfs/dbraw/zinc/28/78/62/570287862.db2.gz QZBWIOHSAOZKBW-UHFFFAOYSA-N 1 0 392.337 5.235 10 0 GKAERO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000215690663 570290662 /nfs/dbraw/zinc/29/06/62/570290662.db2.gz PMGFTIDUJNLRSY-WSKLTFMVSA-N 1 0 397.603 5.613 10 0 GKAERO CCOc1c(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc(Cl)cc1OC ZINC000010436601 570570743 /nfs/dbraw/zinc/57/07/43/570570743.db2.gz GNSSHDCITVPGQH-UBWJNLJSSA-N 1 0 377.956 5.586 10 0 GKAERO C[NH+](C)CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21 ZINC000013467306 570755259 /nfs/dbraw/zinc/75/52/59/570755259.db2.gz PMGFTIDUJNLRSY-UHCVVMIDSA-N 1 0 397.603 5.613 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013718616 570779470 /nfs/dbraw/zinc/77/94/70/570779470.db2.gz WGPMCZXOOGZKON-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013718612 570779478 /nfs/dbraw/zinc/77/94/78/570779478.db2.gz XOJBQXAAXCNUTJ-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000013719147 570779570 /nfs/dbraw/zinc/77/95/70/570779570.db2.gz GNWSZEZOMPHEEF-UHFFFAOYSA-N 1 0 376.283 5.594 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000013719158 570779655 /nfs/dbraw/zinc/77/96/55/570779655.db2.gz HJMXUVTWMFJQSJ-UHFFFAOYSA-N 1 0 386.289 5.050 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013718930 570779675 /nfs/dbraw/zinc/77/96/75/570779675.db2.gz FUYCZZSMHPPWAV-UHFFFAOYSA-N 1 0 399.893 5.399 10 0 GKAERO CCCCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013719801 570779976 /nfs/dbraw/zinc/77/99/76/570779976.db2.gz ZHFDLRZPOBBIGN-UHFFFAOYSA-N 1 0 379.903 5.355 10 0 GKAERO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1cccc(C)c1 ZINC000013721232 570780389 /nfs/dbraw/zinc/78/03/89/570780389.db2.gz QNYTVGZCBPXJHP-UHFFFAOYSA-N 1 0 395.930 5.568 10 0 GKAERO CCOc1cc(C[NH2+]CCc2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000013721000 570780608 /nfs/dbraw/zinc/78/06/08/570780608.db2.gz GUNTYTHOWSSXPH-UHFFFAOYSA-N 1 0 395.930 5.650 10 0 GKAERO CCOc1cccc(C[NH2+]CCC2=CCCCC2)c1OCc1ccc(Cl)cc1 ZINC000013724051 570780819 /nfs/dbraw/zinc/78/08/19/570780819.db2.gz CTKZTZHJIOHQIW-UHFFFAOYSA-N 1 0 399.962 6.298 10 0 GKAERO CCOc1cc(C[NH2+]CCC2=CCCCC2)ccc1OCc1ccc(C)cc1 ZINC000013723931 570780987 /nfs/dbraw/zinc/78/09/87/570780987.db2.gz NPZWTJMPBZQFEY-UHFFFAOYSA-N 1 0 379.544 5.953 10 0 GKAERO CCOc1cccc(C[NH2+]CCC(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000013724558 570781357 /nfs/dbraw/zinc/78/13/57/570781357.db2.gz QFJGMGKHJPIWNK-UHFFFAOYSA-N 1 0 396.358 6.107 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000013725253 570781386 /nfs/dbraw/zinc/78/13/86/570781386.db2.gz MICGAHOUAODQGN-IBGZPJMESA-N 1 0 379.931 6.030 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013725287 570781444 /nfs/dbraw/zinc/78/14/44/570781444.db2.gz QYXDKVMUCQRZLX-IBGZPJMESA-N 1 0 379.931 6.030 10 0 GKAERO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000013726357 570781893 /nfs/dbraw/zinc/78/18/93/570781893.db2.gz LRLKEBOYEOHRKE-MRXNPFEDSA-N 1 0 384.317 5.820 10 0 GKAERO CCOc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OCc1ccc(Cl)cc1 ZINC000013730210 570782603 /nfs/dbraw/zinc/78/26/03/570782603.db2.gz PIAGOEACPYPKGF-UHFFFAOYSA-N 1 0 399.893 5.747 10 0 GKAERO CCCCOCCC[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000013720098 210085193 /nfs/dbraw/zinc/08/51/93/210085193.db2.gz VRSYWUKSEDGUII-UHFFFAOYSA-N 1 0 380.326 5.314 10 0 GKAERO CCC(C)(C)[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000013725144 210084518 /nfs/dbraw/zinc/08/45/18/210084518.db2.gz FCOGBZMGLYJGFR-UHFFFAOYSA-N 1 0 392.337 5.315 10 0 GKAERO COCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013722652 210083722 /nfs/dbraw/zinc/08/37/22/210083722.db2.gz RTENBARPPLMVNM-UHFFFAOYSA-N 1 0 377.315 5.123 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000013725633 210083832 /nfs/dbraw/zinc/08/38/32/210083832.db2.gz YAXQLJLYBLJOLY-IBGZPJMESA-N 1 0 379.931 6.030 10 0 GKAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013725607 210083841 /nfs/dbraw/zinc/08/38/41/210083841.db2.gz PWMFSFBHTMENMP-IBGZPJMESA-N 1 0 379.931 6.030 10 0 GKAERO COc1ccccc1CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000013718596 210082649 /nfs/dbraw/zinc/08/26/49/210082649.db2.gz WOKXDACCOKJVFG-UHFFFAOYSA-N 1 0 381.903 5.260 10 0 GKAERO CCn1cc(C[N@H+](Cc2ccncc2)Cc2ccc(OC)cc2)c2ccccc21 ZINC000013570256 210069355 /nfs/dbraw/zinc/06/93/55/210069355.db2.gz BLINCYAIQLECKT-UHFFFAOYSA-N 1 0 385.511 5.267 10 0 GKAERO