smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccccc1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012750836 1044503637 /nfs/dbraw/zinc/50/36/37/1044503637.db2.gz ZZPFZWVEPGDDBD-FQEVSTJZSA-N 1 3 340.486 4.212 50 0 EIAAHO CN(Cc1ccccc1)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012750836 1044503661 /nfs/dbraw/zinc/50/36/61/1044503661.db2.gz ZZPFZWVEPGDDBD-FQEVSTJZSA-N 1 3 340.486 4.212 50 0 EIAAHO C[N@@H+](Cc1ccccc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012194194 563655781 /nfs/dbraw/zinc/65/57/81/563655781.db2.gz UXJYOJFQGOJIRK-UHFFFAOYSA-N 1 3 340.486 4.212 50 0 EIAAHO C[N@H+](Cc1ccccc1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012194194 563655786 /nfs/dbraw/zinc/65/57/86/563655786.db2.gz UXJYOJFQGOJIRK-UHFFFAOYSA-N 1 3 340.486 4.212 50 0 EIAAHO COc1ccc([C@H](CNc2cc(C)[nH+]c3ccccc23)N(C)C)cc1 ZINC000089583105 564092963 /nfs/dbraw/zinc/09/29/63/564092963.db2.gz BJULFJUPEACFTO-NRFANRHFSA-N 1 3 335.451 4.267 50 0 EIAAHO C[N@@H+](Cc1ccsc1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012197298 563655932 /nfs/dbraw/zinc/65/59/32/563655932.db2.gz KZELSPPSUQOMHT-UHFFFAOYSA-N 1 3 346.515 4.274 50 0 EIAAHO C[N@H+](Cc1ccsc1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012197298 563655935 /nfs/dbraw/zinc/65/59/35/563655935.db2.gz KZELSPPSUQOMHT-UHFFFAOYSA-N 1 3 346.515 4.274 50 0 EIAAHO C[C@@H](c1ccc(-c2ccccc2OCCN(C)C)cc1)[NH+]1CCCC1 ZINC000096140863 563979524 /nfs/dbraw/zinc/97/95/24/563979524.db2.gz JBGMAYYFEUHSQT-SFHVURJKSA-N 1 3 338.495 4.451 50 0 EIAAHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCOc4ccccc42)C3)cc1 ZINC000248408659 564064755 /nfs/dbraw/zinc/06/47/55/564064755.db2.gz CGJFPXBAYQZJKY-XWSHUIEDSA-N 1 3 348.490 4.295 50 0 EIAAHO C[C@H](c1cccc(CN(C)Cc2ccc3ncccc3c2)c1)[NH+](C)C ZINC000952982237 1049688540 /nfs/dbraw/zinc/68/85/40/1049688540.db2.gz FWILUOXNATZCFM-QGZVFWFLSA-N 1 3 333.479 4.489 50 0 EIAAHO C[N@H+](CC1CCN(CCc2cccc(F)c2)CC1)C[C@H]1CC=CCC1 ZINC000012430185 563660453 /nfs/dbraw/zinc/66/04/53/563660453.db2.gz MYRYIPXWTXOKGR-FQEVSTJZSA-N 1 3 344.518 4.368 50 0 EIAAHO C[N@@H+](CC1CCN(CCc2cccc(F)c2)CC1)C[C@H]1CC=CCC1 ZINC000012430185 563660454 /nfs/dbraw/zinc/66/04/54/563660454.db2.gz MYRYIPXWTXOKGR-FQEVSTJZSA-N 1 3 344.518 4.368 50 0 EIAAHO C[N@H+](CC1CCCC1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012572426 563663468 /nfs/dbraw/zinc/66/34/68/563663468.db2.gz RRMALLDOYFBGGW-UHFFFAOYSA-N 1 3 332.507 4.202 50 0 EIAAHO C[N@@H+](CC1CCCC1)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000012572426 563663473 /nfs/dbraw/zinc/66/34/73/563663473.db2.gz RRMALLDOYFBGGW-UHFFFAOYSA-N 1 3 332.507 4.202 50 0 EIAAHO Cc1cc(CNCc2ccc(C[NH+](C)C)cc2)c(C)n1CC(C)C ZINC000007736239 564122479 /nfs/dbraw/zinc/12/24/79/564122479.db2.gz HGWCTXCNUUDBFO-UHFFFAOYSA-N 1 3 327.516 4.112 50 0 EIAAHO C[N@H+](CCC[C@@H]1CCCO1)Cc1ccc(CN2CCCCC2)s1 ZINC000215570279 241133966 /nfs/dbraw/zinc/13/39/66/241133966.db2.gz DKBJBSBPQYZTNS-QGZVFWFLSA-N 1 3 336.545 4.125 50 0 EIAAHO C[N@@H+](CCC[C@@H]1CCCO1)Cc1ccc(CN2CCCCC2)s1 ZINC000215570279 241133971 /nfs/dbraw/zinc/13/39/71/241133971.db2.gz DKBJBSBPQYZTNS-QGZVFWFLSA-N 1 3 336.545 4.125 50 0 EIAAHO CCn1ncc(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1C ZINC000072476583 203232167 /nfs/dbraw/zinc/23/21/67/203232167.db2.gz YURSXPWFWHCPAK-NRFANRHFSA-N 1 3 340.515 4.000 50 0 EIAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 ZINC000091304397 563975209 /nfs/dbraw/zinc/97/52/09/563975209.db2.gz TVGZKAMMYWXSDF-QFIPXVFZSA-N 1 3 349.522 4.173 50 0 EIAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 ZINC000091304397 563975210 /nfs/dbraw/zinc/97/52/10/563975210.db2.gz TVGZKAMMYWXSDF-QFIPXVFZSA-N 1 3 349.522 4.173 50 0 EIAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 ZINC000091831112 564087967 /nfs/dbraw/zinc/08/79/67/564087967.db2.gz RCXOWMCGOXKXPG-OAQYLSRUSA-N 1 3 349.522 4.173 50 0 EIAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 ZINC000091831112 564087968 /nfs/dbraw/zinc/08/79/68/564087968.db2.gz RCXOWMCGOXKXPG-OAQYLSRUSA-N 1 3 349.522 4.173 50 0 EIAAHO [NH3+]CCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000006864031 563589309 /nfs/dbraw/zinc/58/93/09/563589309.db2.gz HQKDFYFSZCDXNN-UHFFFAOYSA-N 1 3 330.475 4.307 50 0 EIAAHO Cc1ccc2[nH+]c(C)cc(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 ZINC000012462597 563661597 /nfs/dbraw/zinc/66/15/97/563661597.db2.gz HRIDZTONLZEPIE-UHFFFAOYSA-N 1 3 346.478 4.347 50 0 EIAAHO c1ccc(COC(CNC2CCCCC2)C[NH2+]C2CCCCC2)cc1 ZINC000000173907 563252342 /nfs/dbraw/zinc/25/23/42/563252342.db2.gz ISWJVSNRWZLBOB-UHFFFAOYSA-N 1 3 344.543 4.416 50 0 EIAAHO CC1(C)CC(N2CCCCC2)=C/C(=[NH+]\CCCN2CCCCC2)C1 ZINC000043279515 563861600 /nfs/dbraw/zinc/86/16/00/563861600.db2.gz SWZHWEDAFJUNTB-ZBJSNUHESA-N 1 3 331.548 4.493 50 0 EIAAHO C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055107471 214273096 /nfs/dbraw/zinc/27/30/96/214273096.db2.gz SLBQLKSKWYPRKM-MGPUTAFESA-N 1 3 329.463 4.003 50 0 EIAAHO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055107471 214273100 /nfs/dbraw/zinc/27/31/00/214273100.db2.gz SLBQLKSKWYPRKM-MGPUTAFESA-N 1 3 329.463 4.003 50 0 EIAAHO CCn1ncc(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1C ZINC000072476582 216254771 /nfs/dbraw/zinc/25/47/71/216254771.db2.gz YURSXPWFWHCPAK-OAQYLSRUSA-N 1 3 340.515 4.000 50 0 EIAAHO C[N@H+](CCC[C@H]1CCCO1)Cc1ccc(CN2CCCCC2)s1 ZINC000215570324 241134610 /nfs/dbraw/zinc/13/46/10/241134610.db2.gz DKBJBSBPQYZTNS-KRWDZBQOSA-N 1 3 336.545 4.125 50 0 EIAAHO C[N@@H+](CCC[C@H]1CCCO1)Cc1ccc(CN2CCCCC2)s1 ZINC000215570324 241134617 /nfs/dbraw/zinc/13/46/17/241134617.db2.gz DKBJBSBPQYZTNS-KRWDZBQOSA-N 1 3 336.545 4.125 50 0 EIAAHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCOc4ccccc42)C3)cc1 ZINC000248408658 564064738 /nfs/dbraw/zinc/06/47/38/564064738.db2.gz CGJFPXBAYQZJKY-XAPVIXHLSA-N 1 3 348.490 4.295 50 0 EIAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 ZINC000091304393 563975214 /nfs/dbraw/zinc/97/52/14/563975214.db2.gz TVGZKAMMYWXSDF-JOCHJYFZSA-N 1 3 349.522 4.173 50 0 EIAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 ZINC000091304393 563975215 /nfs/dbraw/zinc/97/52/15/563975215.db2.gz TVGZKAMMYWXSDF-JOCHJYFZSA-N 1 3 349.522 4.173 50 0 EIAAHO COc1ccccc1CN1CCC(C[N@H+](CC(C)C)C2CCC2)CC1 ZINC000014974145 564035806 /nfs/dbraw/zinc/03/58/06/564035806.db2.gz ZORXYYJUWAVWGM-UHFFFAOYSA-N 1 3 344.543 4.418 50 0 EIAAHO COc1ccccc1CN1CCC(C[N@@H+](CC(C)C)C2CCC2)CC1 ZINC000014974145 564035807 /nfs/dbraw/zinc/03/58/07/564035807.db2.gz ZORXYYJUWAVWGM-UHFFFAOYSA-N 1 3 344.543 4.418 50 0 EIAAHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCOc4ccccc42)C3)cc1 ZINC000248408657 564064748 /nfs/dbraw/zinc/06/47/48/564064748.db2.gz CGJFPXBAYQZJKY-KEZQHZCBSA-N 1 3 348.490 4.295 50 0 EIAAHO c1ccc(C2=CCN(Cc3cccc(OC4CC[NH2+]CC4)c3)CC2)cc1 ZINC000299788844 258095099 /nfs/dbraw/zinc/09/50/99/258095099.db2.gz TYCWCZGFWVMAQI-UHFFFAOYSA-N 1 3 348.490 4.107 50 0 EIAAHO CN(Cc1ccccc1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012750840 1044505364 /nfs/dbraw/zinc/50/53/64/1044505364.db2.gz ZZPFZWVEPGDDBD-HXUWFJFHSA-N 1 3 340.486 4.212 50 0 EIAAHO CN(Cc1ccccc1)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000012750840 1044505380 /nfs/dbraw/zinc/50/53/80/1044505380.db2.gz ZZPFZWVEPGDDBD-HXUWFJFHSA-N 1 3 340.486 4.212 50 0 EIAAHO Cc1ccsc1CN(Cc1ccccn1)CC1(C)CC[NH+](C)CC1 ZINC000055403796 214319742 /nfs/dbraw/zinc/31/97/42/214319742.db2.gz XNSHTPZUZDJSDY-UHFFFAOYSA-N 1 3 343.540 4.186 50 0 EIAAHO CN1CCC(C[N@H+](CCc2ccccc2)Cc2ccccc2F)CC1 ZINC000012204251 211320706 /nfs/dbraw/zinc/32/07/06/211320706.db2.gz MKLVPHLDYFLQBG-UHFFFAOYSA-N 1 3 340.486 4.212 50 0 EIAAHO CN1CCC(C[N@@H+](CCc2ccccc2)Cc2ccccc2F)CC1 ZINC000012204251 211320712 /nfs/dbraw/zinc/32/07/12/211320712.db2.gz MKLVPHLDYFLQBG-UHFFFAOYSA-N 1 3 340.486 4.212 50 0 EIAAHO CC[N@@H+]1CCC[C@H]1CNCc1cn(Cc2ccccc2)c2ccccc12 ZINC000249685491 564053176 /nfs/dbraw/zinc/05/31/76/564053176.db2.gz FUSJRYUTNLUVHU-NRFANRHFSA-N 1 3 347.506 4.264 50 0 EIAAHO CC[N@H+]1CCC[C@H]1CNCc1cn(Cc2ccccc2)c2ccccc12 ZINC000249685491 564053177 /nfs/dbraw/zinc/05/31/77/564053177.db2.gz FUSJRYUTNLUVHU-NRFANRHFSA-N 1 3 347.506 4.264 50 0 EIAAHO CN(Cc1cccs1)Cc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000299777694 258087749 /nfs/dbraw/zinc/08/77/49/258087749.db2.gz FMRYILYFMIRHNM-GOSISDBHSA-N 1 3 344.524 4.291 50 0 EIAAHO Cc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)c2ccccc2[nH+]1 ZINC000089583033 564092970 /nfs/dbraw/zinc/09/29/70/564092970.db2.gz MMHFOHZLUBQANJ-UHFFFAOYSA-N 1 3 349.453 4.395 50 0 EIAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 ZINC000091494368 218014135 /nfs/dbraw/zinc/01/41/35/218014135.db2.gz IQOUMVXCXXPKLM-JOCHJYFZSA-N 1 3 349.522 4.173 50 0 EIAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 ZINC000091494368 218014138 /nfs/dbraw/zinc/01/41/38/218014138.db2.gz IQOUMVXCXXPKLM-JOCHJYFZSA-N 1 3 349.522 4.173 50 0 EIAAHO CN(Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000299777708 258087469 /nfs/dbraw/zinc/08/74/69/258087469.db2.gz FMRYILYFMIRHNM-SFHVURJKSA-N 1 3 344.524 4.291 50 0 EIAAHO CC(C)[N@@H+]1CC2(CCN(Cc3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000257183164 1036309882 /nfs/dbraw/zinc/30/98/82/1036309882.db2.gz HGDYZVJLAJVBSU-NRFANRHFSA-N 1 3 335.495 4.129 50 0 EIAAHO CC(C)[N@H+]1CC2(CCN(Cc3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000257183164 1036309901 /nfs/dbraw/zinc/30/99/01/1036309901.db2.gz HGDYZVJLAJVBSU-NRFANRHFSA-N 1 3 335.495 4.129 50 0 EIAAHO C[N@H+](CC1CCN(CCc2ccccc2F)CC1)C[C@H]1CC=CCC1 ZINC000012194423 211315112 /nfs/dbraw/zinc/31/51/12/211315112.db2.gz NQTLBBDMWXJRJB-IBGZPJMESA-N 1 3 344.518 4.368 50 0 EIAAHO C[N@@H+](CC1CCN(CCc2ccccc2F)CC1)C[C@H]1CC=CCC1 ZINC000012194423 211315116 /nfs/dbraw/zinc/31/51/16/211315116.db2.gz NQTLBBDMWXJRJB-IBGZPJMESA-N 1 3 344.518 4.368 50 0 EIAAHO CC[NH+]1CCC(N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011821496 211251996 /nfs/dbraw/zinc/25/19/96/211251996.db2.gz ZCAUEWMCBJHBIE-HXUWFJFHSA-N 1 3 329.532 4.171 50 0 EIAAHO C/C(=C\c1ccco1)C[N@H+](C)CC1CCN(Cc2ccc(C)o2)CC1 ZINC000014971203 563769018 /nfs/dbraw/zinc/76/90/18/563769018.db2.gz IUGQCJQXBDDKBQ-GHRIWEEISA-N 1 3 342.483 4.428 50 0 EIAAHO C/C(=C\c1ccco1)C[N@@H+](C)CC1CCN(Cc2ccc(C)o2)CC1 ZINC000014971203 563769020 /nfs/dbraw/zinc/76/90/20/563769020.db2.gz IUGQCJQXBDDKBQ-GHRIWEEISA-N 1 3 342.483 4.428 50 0 EIAAHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000248742703 564078199 /nfs/dbraw/zinc/07/81/99/564078199.db2.gz AIDCRVKUMDYKPU-KANFNMMFSA-N 1 3 341.524 4.032 50 0 EIAAHO C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000248742703 564078200 /nfs/dbraw/zinc/07/82/00/564078200.db2.gz AIDCRVKUMDYKPU-KANFNMMFSA-N 1 3 341.524 4.032 50 0 EIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cccc(F)c3)CC2)o1 ZINC000012200479 211319438 /nfs/dbraw/zinc/31/94/38/211319438.db2.gz UCLDRNUQURWYEV-UHFFFAOYSA-N 1 3 330.447 4.071 50 0 EIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cccc(F)c3)CC2)o1 ZINC000012200479 211319441 /nfs/dbraw/zinc/31/94/41/211319441.db2.gz UCLDRNUQURWYEV-UHFFFAOYSA-N 1 3 330.447 4.071 50 0 EIAAHO CCN1CCC2(CC1)C[N@@H+](C1CCCCC1)Cc1ccccc1O2 ZINC000257193034 1022765051 /nfs/dbraw/zinc/76/50/51/1022765051.db2.gz RFDSWYHJMHGQBR-UHFFFAOYSA-N 1 3 328.500 4.068 50 0 EIAAHO CCN1CCC2(CC1)C[N@H+](C1CCCCC1)Cc1ccccc1O2 ZINC000257193034 1022765068 /nfs/dbraw/zinc/76/50/68/1022765068.db2.gz RFDSWYHJMHGQBR-UHFFFAOYSA-N 1 3 328.500 4.068 50 0 EIAAHO c1cc(-c2ccccn2)sc1C[NH2+]C[C@@H]1CCCN2CCCC[C@H]12 ZINC000063881607 1045271417 /nfs/dbraw/zinc/27/14/17/1045271417.db2.gz LAGZMBDMPJTICS-QFBILLFUSA-N 1 3 341.524 4.164 50 0 EIAAHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000248742709 564078192 /nfs/dbraw/zinc/07/81/92/564078192.db2.gz AIDCRVKUMDYKPU-OQIJWPOYSA-N 1 3 341.524 4.032 50 0 EIAAHO C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000248742709 564078193 /nfs/dbraw/zinc/07/81/93/564078193.db2.gz AIDCRVKUMDYKPU-OQIJWPOYSA-N 1 3 341.524 4.032 50 0 EIAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 ZINC000091494370 218013748 /nfs/dbraw/zinc/01/37/48/218013748.db2.gz IQOUMVXCXXPKLM-QFIPXVFZSA-N 1 3 349.522 4.173 50 0 EIAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 ZINC000091494370 218013752 /nfs/dbraw/zinc/01/37/52/218013752.db2.gz IQOUMVXCXXPKLM-QFIPXVFZSA-N 1 3 349.522 4.173 50 0 EIAAHO C[C@H](c1ccc(-c2ccccc2OCCN(C)C)cc1)[NH+]1CCCC1 ZINC000096140864 563979552 /nfs/dbraw/zinc/97/95/52/563979552.db2.gz JBGMAYYFEUHSQT-GOSISDBHSA-N 1 3 338.495 4.451 50 0 EIAAHO CC[NH+]1CCC(N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011821497 211252900 /nfs/dbraw/zinc/25/29/00/211252900.db2.gz ZCAUEWMCBJHBIE-FQEVSTJZSA-N 1 3 329.532 4.171 50 0 EIAAHO CSCC1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)CC1 ZINC000252482362 564053365 /nfs/dbraw/zinc/05/33/65/564053365.db2.gz DDTZFFHTDQXLQY-UHFFFAOYSA-N 1 3 338.586 4.309 50 0 EIAAHO CC(C)[N@@H+]1CC2(CCN(Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000257183165 1036308214 /nfs/dbraw/zinc/30/82/14/1036308214.db2.gz HGDYZVJLAJVBSU-OAQYLSRUSA-N 1 3 335.495 4.129 50 0 EIAAHO CC(C)[N@H+]1CC2(CCN(Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000257183165 1036308236 /nfs/dbraw/zinc/30/82/36/1036308236.db2.gz HGDYZVJLAJVBSU-OAQYLSRUSA-N 1 3 335.495 4.129 50 0 EIAAHO c1sc(C[NH+]2CCC(c3ccncc3)CC2)cc1CN1CCCC1 ZINC000214970980 241100462 /nfs/dbraw/zinc/10/04/62/241100462.db2.gz DWTCGBOBLGOOAD-UHFFFAOYSA-N 1 3 341.524 4.119 50 0 EIAAHO C[N@@H+](Cc1ccccc1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012203127 211320519 /nfs/dbraw/zinc/32/05/19/211320519.db2.gz OEELFBOPXJXLPM-UHFFFAOYSA-N 1 3 340.486 4.212 50 0 EIAAHO C[N@H+](Cc1ccccc1)CC1CCN(CCc2ccccc2F)CC1 ZINC000012203127 211320523 /nfs/dbraw/zinc/32/05/23/211320523.db2.gz OEELFBOPXJXLPM-UHFFFAOYSA-N 1 3 340.486 4.212 50 0 EIAAHO c1csc(C[N@H+]2CC[C@@]3(C2)CCCN(CCc2ccccc2)C3)c1 ZINC000012471435 1043461947 /nfs/dbraw/zinc/46/19/47/1043461947.db2.gz KSTJRJDSRFNGQR-NRFANRHFSA-N 1 3 340.536 4.279 50 0 EIAAHO c1csc(C[N@@H+]2CC[C@@]3(C2)CCCN(CCc2ccccc2)C3)c1 ZINC000012471435 1043461954 /nfs/dbraw/zinc/46/19/54/1043461954.db2.gz KSTJRJDSRFNGQR-NRFANRHFSA-N 1 3 340.536 4.279 50 0 EIAAHO C[C@@H](c1cccc(CN(C)Cc2ccc3ncccc3c2)c1)[NH+](C)C ZINC000952982215 1049688208 /nfs/dbraw/zinc/68/82/08/1049688208.db2.gz FWILUOXNATZCFM-KRWDZBQOSA-N 1 3 333.479 4.489 50 0 EIAAHO C[N@H+](CC1CCN(CCc2cccc(F)c2)CC1)C[C@@H]1CC=CCC1 ZINC000012430186 211378004 /nfs/dbraw/zinc/37/80/04/211378004.db2.gz MYRYIPXWTXOKGR-HXUWFJFHSA-N 1 3 344.518 4.368 50 0 EIAAHO C[N@@H+](CC1CCN(CCc2cccc(F)c2)CC1)C[C@@H]1CC=CCC1 ZINC000012430186 211378008 /nfs/dbraw/zinc/37/80/08/211378008.db2.gz MYRYIPXWTXOKGR-HXUWFJFHSA-N 1 3 344.518 4.368 50 0 EIAAHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000248742698 564078210 /nfs/dbraw/zinc/07/82/10/564078210.db2.gz AIDCRVKUMDYKPU-DSLXNQLJSA-N 1 3 341.524 4.032 50 0 EIAAHO C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000248742698 564078211 /nfs/dbraw/zinc/07/82/11/564078211.db2.gz AIDCRVKUMDYKPU-DSLXNQLJSA-N 1 3 341.524 4.032 50 0 EIAAHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nccs1 ZINC000248742714 564078223 /nfs/dbraw/zinc/07/82/23/564078223.db2.gz AIDCRVKUMDYKPU-OWYHZJEWSA-N 1 3 341.524 4.032 50 0 EIAAHO C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nccs1 ZINC000248742714 564078224 /nfs/dbraw/zinc/07/82/24/564078224.db2.gz AIDCRVKUMDYKPU-OWYHZJEWSA-N 1 3 341.524 4.032 50 0 EIAAHO c1csc(C[N@H+]2CC[C@]3(C2)CCCN(CCc2ccccc2)C3)c1 ZINC000012471425 1043462307 /nfs/dbraw/zinc/46/23/07/1043462307.db2.gz KSTJRJDSRFNGQR-OAQYLSRUSA-N 1 3 340.536 4.279 50 0 EIAAHO c1csc(C[N@@H+]2CC[C@]3(C2)CCCN(CCc2ccccc2)C3)c1 ZINC000012471425 1043462320 /nfs/dbraw/zinc/46/23/20/1043462320.db2.gz KSTJRJDSRFNGQR-OAQYLSRUSA-N 1 3 340.536 4.279 50 0 EIAAHO c1ccc(CN2CCC(Cc3ccc(C[NH+]4CCCC4)cc3)CC2)nc1 ZINC000581810059 1060021201 /nfs/dbraw/zinc/02/12/01/1060021201.db2.gz KVFZVJSITYQCLB-UHFFFAOYSA-N 1 3 349.522 4.132 50 0 EIAAHO c1ccc([C@@H](NC2CCC3(CC[NH2+]CC3)CC2)c2ccncc2)cc1 ZINC000067854802 215231985 /nfs/dbraw/zinc/23/19/85/215231985.db2.gz DVSQIXQVCROMIX-OAQYLSRUSA-N 1 3 335.495 4.073 50 0 EIAAHO CN1CC=C(c2ccc(OC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000072159047 216048033 /nfs/dbraw/zinc/04/80/33/216048033.db2.gz NGARRNMYIMZARM-RBBKRZOGSA-N 1 3 340.511 4.049 50 0 EIAAHO CN1CC=C(c2ccc(OC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000072159047 216048037 /nfs/dbraw/zinc/04/80/37/216048037.db2.gz NGARRNMYIMZARM-RBBKRZOGSA-N 1 3 340.511 4.049 50 0 EIAAHO C[N@H+](CC1CCN(CCc2ccccc2F)CC1)C[C@@H]1CC=CCC1 ZINC000012194429 211316052 /nfs/dbraw/zinc/31/60/52/211316052.db2.gz NQTLBBDMWXJRJB-LJQANCHMSA-N 1 3 344.518 4.368 50 0 EIAAHO C[N@@H+](CC1CCN(CCc2ccccc2F)CC1)C[C@@H]1CC=CCC1 ZINC000012194429 211316056 /nfs/dbraw/zinc/31/60/56/211316056.db2.gz NQTLBBDMWXJRJB-LJQANCHMSA-N 1 3 344.518 4.368 50 0 EIAAHO CC[N@@H+]1CCC[C@@H]1CNCc1cn(Cc2ccccc2)c2ccccc12 ZINC000249685495 564053165 /nfs/dbraw/zinc/05/31/65/564053165.db2.gz FUSJRYUTNLUVHU-OAQYLSRUSA-N 1 3 347.506 4.264 50 0 EIAAHO CC[N@H+]1CCC[C@@H]1CNCc1cn(Cc2ccccc2)c2ccccc12 ZINC000249685495 564053166 /nfs/dbraw/zinc/05/31/66/564053166.db2.gz FUSJRYUTNLUVHU-OAQYLSRUSA-N 1 3 347.506 4.264 50 0 EIAAHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCOc4ccccc42)C3)cc1 ZINC000248408656 564064720 /nfs/dbraw/zinc/06/47/20/564064720.db2.gz CGJFPXBAYQZJKY-IIZPIQPGSA-N 1 3 348.490 4.295 50 0 EIAAHO Cc1ccc(CN2CCC(C[N@H+](C)CCCc3ccccc3)CC2)o1 ZINC000012073521 211286865 /nfs/dbraw/zinc/28/68/65/211286865.db2.gz QETSFJBHTFFGFS-UHFFFAOYSA-N 1 3 340.511 4.365 50 0 EIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)CCCc3ccccc3)CC2)o1 ZINC000012073521 211286868 /nfs/dbraw/zinc/28/68/68/211286868.db2.gz QETSFJBHTFFGFS-UHFFFAOYSA-N 1 3 340.511 4.365 50 0 EIAAHO Cc1ccc(CN2CCC(C[N@H+](C)C/C=C/c3ccccc3)CC2)o1 ZINC000015068489 563775517 /nfs/dbraw/zinc/77/55/17/563775517.db2.gz BAQBMSFOVWVWJB-RMKNXTFCSA-N 1 3 338.495 4.445 50 0 EIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)C/C=C/c3ccccc3)CC2)o1 ZINC000015068489 563775519 /nfs/dbraw/zinc/77/55/19/563775519.db2.gz BAQBMSFOVWVWJB-RMKNXTFCSA-N 1 3 338.495 4.445 50 0 EIAAHO c1cncc(CN2CCC(Cc3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000581810060 1060022116 /nfs/dbraw/zinc/02/21/16/1060022116.db2.gz KZAXCFMKICODPQ-UHFFFAOYSA-N 1 3 349.522 4.132 50 0 EIAAHO Cc1ccc(C[N@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)o1 ZINC000014977638 563770074 /nfs/dbraw/zinc/77/00/74/563770074.db2.gz GJJXRNKKPORURF-UHFFFAOYSA-N 1 3 344.474 4.114 50 0 EIAAHO Cc1ccc(C[N@@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)o1 ZINC000014977638 563770075 /nfs/dbraw/zinc/77/00/75/563770075.db2.gz GJJXRNKKPORURF-UHFFFAOYSA-N 1 3 344.474 4.114 50 0 EIAAHO COc1ccc([C@@H](CNc2cc(C)[nH+]c3ccccc23)N(C)C)cc1 ZINC000089583108 564092954 /nfs/dbraw/zinc/09/29/54/564092954.db2.gz BJULFJUPEACFTO-OAQYLSRUSA-N 1 3 335.451 4.267 50 0 EIAAHO COc1cccc2c1CCC[C@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000194908295 1031639831 /nfs/dbraw/zinc/63/98/31/1031639831.db2.gz PKYFFCBEYRDSTJ-HXUWFJFHSA-N 1 3 328.500 4.069 50 0 EIAAHO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000194908282 1031640563 /nfs/dbraw/zinc/64/05/63/1031640563.db2.gz PKYFFCBEYRDSTJ-FQEVSTJZSA-N 1 3 328.500 4.069 50 0 EIAAHO C[NH+](C)Cc1ccc(CNCc2cnc(-c3ccccc3)s2)cc1 ZINC000066970277 215100558 /nfs/dbraw/zinc/10/05/58/215100558.db2.gz OTURNUWSXIWBFL-UHFFFAOYSA-N 1 3 337.492 4.162 50 0 EIAAHO c1ccc([C@H](NC2CCC3(CC[NH2+]CC3)CC2)c2ccncc2)cc1 ZINC000067854800 215230913 /nfs/dbraw/zinc/23/09/13/215230913.db2.gz DVSQIXQVCROMIX-NRFANRHFSA-N 1 3 335.495 4.073 50 0 EIAAHO Cc1ncsc1CC[N@@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000216318486 241183181 /nfs/dbraw/zinc/18/31/81/241183181.db2.gz XRMFHFMRMVDKJJ-UHFFFAOYSA-N 1 3 349.569 4.173 50 0 EIAAHO Cc1ncsc1CC[N@H+](C)Cc1cc(CN2CCCCC2)cs1 ZINC000216318486 241183189 /nfs/dbraw/zinc/18/31/89/241183189.db2.gz XRMFHFMRMVDKJJ-UHFFFAOYSA-N 1 3 349.569 4.173 50 0 EIAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 ZINC000091831113 218072564 /nfs/dbraw/zinc/07/25/64/218072564.db2.gz RCXOWMCGOXKXPG-NRFANRHFSA-N 1 3 349.522 4.173 50 0 EIAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 ZINC000091831113 218072566 /nfs/dbraw/zinc/07/25/66/218072566.db2.gz RCXOWMCGOXKXPG-NRFANRHFSA-N 1 3 349.522 4.173 50 0 EIAAHO Fc1ccc(C2=CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000072153932 216042304 /nfs/dbraw/zinc/04/23/04/216042304.db2.gz BMJNLDIEMPQYHU-PZJWPPBQSA-N 1 3 328.475 4.179 50 0 EIAAHO Fc1ccc(C2=CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000072153932 216042306 /nfs/dbraw/zinc/04/23/06/216042306.db2.gz BMJNLDIEMPQYHU-PZJWPPBQSA-N 1 3 328.475 4.179 50 0 EIAAHO