smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000842130792 1222836248 /nfs/dbraw/zinc/83/62/48/1222836248.db2.gz FITCAFUSETUAQY-UHFFFAOYSA-N 2 0 373.501 0.170 10 10 FCCERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CS(N)(=O)=O)C3)cc2)CC1 ZINC000775689075 668226672 /nfs/dbraw/zinc/22/66/72/668226672.db2.gz ZCCJHQHPDZBVPH-QGZVFWFLSA-N 2 0 366.531 0.939 10 10 FCCERP COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819379737 1203156475 /nfs/dbraw/zinc/15/64/75/1203156475.db2.gz KULIZDTYZUZIIG-MJGOQNOKSA-N 2 0 362.518 0.719 10 10 FCCERP CC[NH+]1CCN(c2ccc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)cc2F)CC1 ZINC000852872412 1209571719 /nfs/dbraw/zinc/57/17/19/1209571719.db2.gz GOHWVAFCNIYLCZ-CQSZACIVSA-N 2 0 363.437 0.687 10 10 FCCERP CN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000842130997 1222836279 /nfs/dbraw/zinc/83/62/79/1222836279.db2.gz NGANUSGETDYKNB-UHFFFAOYSA-N 2 0 373.501 0.252 10 10 FCCERP COc1ccc(N2CCC([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000819002673 1203147730 /nfs/dbraw/zinc/14/77/30/1203147730.db2.gz NDCPVPFQCRAESH-LJQANCHMSA-N 2 0 362.518 0.862 10 10 FCCERP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000852791801 1209564940 /nfs/dbraw/zinc/56/49/40/1209564940.db2.gz MRLXHYDPQLDEKO-MRXNPFEDSA-N 2 0 357.462 0.698 10 10 FCCERP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000832278527 1222525846 /nfs/dbraw/zinc/52/58/46/1222525846.db2.gz DQVSGBBCKSMBAQ-JKSUJKDBSA-N 2 0 357.462 0.698 10 10 FCCERP C[NH+]1CCN(c2ccc(CNC(=O)C[C@]3(O)CCC[N@H+](C)C3)cc2)CC1 ZINC000918905941 1245588290 /nfs/dbraw/zinc/58/82/90/1245588290.db2.gz JLVJZTHXSLURBY-HXUWFJFHSA-N 2 0 360.502 0.901 10 10 FCCERP CO[C@@]1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS(=O)(=O)C1 ZINC000922619388 667668695 /nfs/dbraw/zinc/66/86/95/667668695.db2.gz QREDBGQORMNNBT-GOSISDBHSA-N 2 0 367.515 0.732 10 10 FCCERP COc1cc(O)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC ZINC000872256470 1210183965 /nfs/dbraw/zinc/18/39/65/1210183965.db2.gz UOUCUSWAEMUCDL-XNJGSVPQSA-N 2 0 363.414 0.776 10 10 FCCERP C[NH2+]C1CCN(C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000923288297 1245705483 /nfs/dbraw/zinc/70/54/83/1245705483.db2.gz VAKFFECXGZJSSY-IBGZPJMESA-N 2 0 362.518 0.862 10 10 FCCERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001328488241 1265561180 /nfs/dbraw/zinc/56/11/80/1265561180.db2.gz UACITKGDAFAQCL-FQEVSTJZSA-N 2 0 362.518 0.346 10 10 FCCERP COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819379738 1203156807 /nfs/dbraw/zinc/15/68/07/1203156807.db2.gz KULIZDTYZUZIIG-PKOBYXMFSA-N 2 0 362.518 0.719 10 10 FCCERP COC(=O)CCNC(=O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000858294236 1209784552 /nfs/dbraw/zinc/78/45/52/1209784552.db2.gz WMHHHEUMJGXEIU-UHFFFAOYSA-N 2 0 362.474 0.597 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC4CC3(C[NH3+])C4)CC2)cc1 ZINC000923389579 1245714988 /nfs/dbraw/zinc/71/49/88/1245714988.db2.gz DVVXPVPYWQUJJU-IPCDKGFNSA-N 2 0 360.502 0.601 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@H]([NH3+])C(C)(C)C3)CC2)cc1 ZINC000923431946 1245718778 /nfs/dbraw/zinc/71/87/78/1245718778.db2.gz YYHDJTDMJMKNMX-MJGOQNOKSA-N 2 0 362.518 0.847 10 10 FCCERP CC[NH+]1CCN(c2ccc(CNC(=O)CCOC3C[NH2+]C3)cc2F)CC1 ZINC000828883180 1222421198 /nfs/dbraw/zinc/42/11/98/1222421198.db2.gz JNQZSVNILXFGQQ-UHFFFAOYSA-N 2 0 364.465 0.962 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@@H]([NH3+])C(C)(C)C3)CC2)cc1 ZINC000923431945 1245718886 /nfs/dbraw/zinc/71/88/86/1245718886.db2.gz YYHDJTDMJMKNMX-IEBWSBKVSA-N 2 0 362.518 0.847 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC2)cc1 ZINC000923425148 1245719413 /nfs/dbraw/zinc/71/94/13/1245719413.db2.gz IKWKLCBYTKUDRN-FBBABVLZSA-N 2 0 374.529 0.719 10 10 FCCERP C[NH+]1CCN(c2ccc(CNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000899212162 1194121957 /nfs/dbraw/zinc/12/19/57/1194121957.db2.gz QKZZNRVZEPJVIT-LJQANCHMSA-N 2 0 358.486 0.775 10 10 FCCERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)cc2)CC1 ZINC000789770851 1201025695 /nfs/dbraw/zinc/02/56/95/1201025695.db2.gz SAUPSEXVJHQWEX-IBGZPJMESA-N 2 0 357.458 0.612 10 10 FCCERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]34COCCN3C(=O)COC4)cc2)CC1 ZINC000865796111 1209985200 /nfs/dbraw/zinc/98/52/00/1209985200.db2.gz QCCZVBKULQJCCX-FQEVSTJZSA-N 2 0 374.485 0.156 10 10 FCCERP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000775706396 668227719 /nfs/dbraw/zinc/22/77/19/668227719.db2.gz QKHMXEPEBLZURU-MRXNPFEDSA-N 2 0 352.504 0.562 10 10 FCCERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000818965534 1203145657 /nfs/dbraw/zinc/14/56/57/1203145657.db2.gz BMLGLAYXKVCWFT-KRWDZBQOSA-N 2 0 366.481 0.360 10 10 FCCERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854220997 671570026 /nfs/dbraw/zinc/57/00/26/671570026.db2.gz DMDWXASVPTZUSW-INIZCTEOSA-N 2 0 355.504 0.765 10 10 FCCERP CC[NH+]1CCN(c2ccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)cc2F)CC1 ZINC000852872411 1209571995 /nfs/dbraw/zinc/57/19/95/1209571995.db2.gz GOHWVAFCNIYLCZ-AWEZNQCLSA-N 2 0 363.437 0.687 10 10 FCCERP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000863642792 1209947080 /nfs/dbraw/zinc/94/70/80/1209947080.db2.gz XVXPIYUATXGCGX-DYVFJYSZSA-N 2 0 361.398 0.878 10 10 FCCERP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000842131040 1222836170 /nfs/dbraw/zinc/83/61/70/1222836170.db2.gz OSESZGBQLQZNTA-OAHLLOKOSA-N 2 0 373.501 0.298 10 10 FCCERP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CNCCS3(=O)=O)cc2)CC1 ZINC000903969368 675985050 /nfs/dbraw/zinc/98/50/50/675985050.db2.gz XVIRKTZENZGLPP-GOSISDBHSA-N 2 0 366.531 0.305 10 10 FCCERP CC[NH+]1CCN(c2ccc(CNS(=O)(=O)C3C[NH2+]C3)cc2F)CC1 ZINC000923605184 672417633 /nfs/dbraw/zinc/41/76/33/672417633.db2.gz CZHILVGCTVDHDU-UHFFFAOYSA-N 2 0 356.467 0.359 10 10 FCCERP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775258900 1207562717 /nfs/dbraw/zinc/56/27/17/1207562717.db2.gz LYNURGUSCXCIBF-FXAWDEMLSA-N 2 0 362.518 0.782 10 10 FCCERP COc1cc(O)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC ZINC000872256468 1210183264 /nfs/dbraw/zinc/18/32/64/1210183264.db2.gz UOUCUSWAEMUCDL-AHIWAGSCSA-N 2 0 363.414 0.776 10 10 FCCERP C[NH+]1CCN(c2ccc(CNC(=O)C[C@@]3(O)CCC[N@H+](C)C3)cc2)CC1 ZINC000918905940 1245588254 /nfs/dbraw/zinc/58/82/54/1245588254.db2.gz JLVJZTHXSLURBY-FQEVSTJZSA-N 2 0 360.502 0.901 10 10 FCCERP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000898329264 1192867321 /nfs/dbraw/zinc/86/73/21/1192867321.db2.gz MIBSCFFNQVJUCW-QGZVFWFLSA-N 2 0 373.501 0.265 10 10 FCCERP COc1ccc(N2CCC([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000819002672 1203147634 /nfs/dbraw/zinc/14/76/34/1203147634.db2.gz NDCPVPFQCRAESH-IBGZPJMESA-N 2 0 362.518 0.862 10 10 FCCERP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000842131039 1222836137 /nfs/dbraw/zinc/83/61/37/1222836137.db2.gz OSESZGBQLQZNTA-HNNXBMFYSA-N 2 0 373.501 0.298 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@H]([NH3+])C(C)(C)C3)CC2)cc1 ZINC000923431944 1245718906 /nfs/dbraw/zinc/71/89/06/1245718906.db2.gz YYHDJTDMJMKNMX-HKUYNNGSSA-N 2 0 362.518 0.847 10 10 FCCERP COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819379735 1203156856 /nfs/dbraw/zinc/15/68/56/1203156856.db2.gz KULIZDTYZUZIIG-IEBWSBKVSA-N 2 0 362.518 0.719 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000754020124 1220101993 /nfs/dbraw/zinc/10/19/93/1220101993.db2.gz POTFAMGVXNIFIO-FQEVSTJZSA-N 2 0 374.529 0.958 10 10 FCCERP C[NH2+]C1CCN(C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000923288298 1245705627 /nfs/dbraw/zinc/70/56/27/1245705627.db2.gz VAKFFECXGZJSSY-LJQANCHMSA-N 2 0 362.518 0.862 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@@H]([NH3+])C(C)(C)C3)CC2)cc1 ZINC000923431947 1245719004 /nfs/dbraw/zinc/71/90/04/1245719004.db2.gz YYHDJTDMJMKNMX-PKOBYXMFSA-N 2 0 362.518 0.847 10 10 FCCERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CS(N)(=O)=O)C3)cc2)CC1 ZINC000775689074 668226801 /nfs/dbraw/zinc/22/68/01/668226801.db2.gz ZCCJHQHPDZBVPH-KRWDZBQOSA-N 2 0 366.531 0.939 10 10 FCCERP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001330396608 1266013479 /nfs/dbraw/zinc/01/34/79/1266013479.db2.gz NNZHWYBTORFICH-UHFFFAOYSA-N 2 0 374.485 0.719 10 10 FCCERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)cc2)CC1 ZINC000789770858 1201025397 /nfs/dbraw/zinc/02/53/97/1201025397.db2.gz SAUPSEXVJHQWEX-LJQANCHMSA-N 2 0 357.458 0.612 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000754020125 1220102128 /nfs/dbraw/zinc/10/21/28/1220102128.db2.gz POTFAMGVXNIFIO-HXUWFJFHSA-N 2 0 374.529 0.958 10 10 FCCERP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843428714 1222877010 /nfs/dbraw/zinc/87/70/10/1222877010.db2.gz MBEZPZWXYRSNPJ-QGZVFWFLSA-N 2 0 359.518 0.990 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@H](F)[C@H]([NH3+])C3)CC2)cc1 ZINC000923394786 1245715505 /nfs/dbraw/zinc/71/55/05/1245715505.db2.gz FEZMUTYFZGGDIA-BHIYHBOVSA-N 2 0 366.481 0.549 10 10 FCCERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000818964530 668965754 /nfs/dbraw/zinc/96/57/54/668965754.db2.gz YVNYHRLJRLCNNC-LJQANCHMSA-N 2 0 364.559 0.938 10 10 FCCERP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C(=O)NCC34CCOCC4)cc2)CC1 ZINC000895773057 1189881621 /nfs/dbraw/zinc/88/16/21/1189881621.db2.gz XYWLGUNYSWWVRF-SFHVURJKSA-N 2 0 358.486 0.823 10 10 FCCERP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775258903 1207562466 /nfs/dbraw/zinc/56/24/66/1207562466.db2.gz LYNURGUSCXCIBF-YLJYHZDGSA-N 2 0 362.518 0.782 10 10 FCCERP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C[NH+](C)C ZINC001329511138 1265772975 /nfs/dbraw/zinc/77/29/75/1265772975.db2.gz NBISJHQOOFBVOY-HZPDHXFCSA-N 2 0 374.485 0.432 10 10 FCCERP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](OC)C[NH2+]3)cc2F)CC1 ZINC000187982778 529153307 /nfs/dbraw/zinc/15/33/07/529153307.db2.gz QWRFEZJQIQQJLJ-DOTOQJQBSA-N 2 0 364.465 0.961 10 10 FCCERP COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819379733 1203156640 /nfs/dbraw/zinc/15/66/40/1203156640.db2.gz KULIZDTYZUZIIG-HKUYNNGSSA-N 2 0 362.518 0.719 10 10 FCCERP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000842131056 1222836257 /nfs/dbraw/zinc/83/62/57/1222836257.db2.gz PINJUSHDDUWGFK-HNNXBMFYSA-N 2 0 373.501 0.298 10 10 FCCERP Cn1cnnc1N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000848925111 1245386614 /nfs/dbraw/zinc/38/66/14/1245386614.db2.gz NTCYQKSNPFXMRV-UHFFFAOYSA-N 2 0 355.490 0.889 10 10 FCCERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001328488242 1265560387 /nfs/dbraw/zinc/56/03/87/1265560387.db2.gz UACITKGDAFAQCL-HXUWFJFHSA-N 2 0 362.518 0.346 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@H]4CC[N@H+](C)[C@H]4C3)CC2)cc1 ZINC001618056015 1289883840 /nfs/dbraw/zinc/88/38/40/1289883840.db2.gz WCSIKYVVHMEOGV-QFUCXCTJSA-N 2 0 374.529 0.814 10 10 FCCERP C[NH+]1CCN(c2ccc(C[NH+]3CCC(O)(COCCO)CC3)cc2)CC1 ZINC000895829196 1189886132 /nfs/dbraw/zinc/88/61/32/1189886132.db2.gz HWXJKMDWUULWNG-UHFFFAOYSA-N 2 0 363.502 0.774 10 10 FCCERP C[NH+]1CCN(c2ccc(CNC(=O)C3C[NH+]([C@H]4CCOC4)C3)cc2)CC1 ZINC000899212159 1194122148 /nfs/dbraw/zinc/12/21/48/1194122148.db2.gz QKZZNRVZEPJVIT-IBGZPJMESA-N 2 0 358.486 0.775 10 10 FCCERP C[NH+](C)CCN1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000846011052 1204575902 /nfs/dbraw/zinc/57/59/02/1204575902.db2.gz JJPKMNPOMDAWHV-UHFFFAOYSA-N 2 0 359.518 0.644 10 10 FCCERP CO[C@]1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCS(=O)(=O)C1 ZINC000922619389 667668638 /nfs/dbraw/zinc/66/86/38/667668638.db2.gz QREDBGQORMNNBT-SFHVURJKSA-N 2 0 367.515 0.732 10 10 FCCERP CN(C)S(=O)(=O)N1CC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000858313582 671758175 /nfs/dbraw/zinc/75/81/75/671758175.db2.gz GUXAZOLUYJYKHT-UHFFFAOYSA-N 2 0 367.519 0.019 10 10 FCCERP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000818965539 1203145715 /nfs/dbraw/zinc/14/57/15/1203145715.db2.gz BMLGLAYXKVCWFT-QGZVFWFLSA-N 2 0 366.481 0.360 10 10 FCCERP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000775706395 668227659 /nfs/dbraw/zinc/22/76/59/668227659.db2.gz QKHMXEPEBLZURU-INIZCTEOSA-N 2 0 352.504 0.562 10 10 FCCERP CC[NH+]1CCN(c2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2F)CC1 ZINC000844190152 1203338587 /nfs/dbraw/zinc/33/85/87/1203338587.db2.gz CIJVOLXQLJNZAR-UHFFFAOYSA-N 2 0 364.465 0.962 10 10 FCCERP [NH3+]CCCNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000842130547 1222836264 /nfs/dbraw/zinc/83/62/64/1222836264.db2.gz APZFCRNDGVFXDP-UHFFFAOYSA-N 2 0 373.501 0.300 10 10 FCCERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C(=O)NCC34CCOCC4)cc2)CC1 ZINC000895773056 1189882143 /nfs/dbraw/zinc/88/21/43/1189882143.db2.gz XYWLGUNYSWWVRF-GOSISDBHSA-N 2 0 358.486 0.823 10 10 FCCERP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000898329262 1192867493 /nfs/dbraw/zinc/86/74/93/1192867493.db2.gz MIBSCFFNQVJUCW-KRWDZBQOSA-N 2 0 373.501 0.265 10 10 FCCERP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775258901 1207563232 /nfs/dbraw/zinc/56/32/32/1207563232.db2.gz LYNURGUSCXCIBF-PXNSSMCTSA-N 2 0 362.518 0.782 10 10 FCCERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]34COCCN3C(=O)COC4)cc2)CC1 ZINC000865796112 1209985274 /nfs/dbraw/zinc/98/52/74/1209985274.db2.gz QCCZVBKULQJCCX-HXUWFJFHSA-N 2 0 374.485 0.156 10 10 FCCERP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000832278525 1222525356 /nfs/dbraw/zinc/52/53/56/1222525356.db2.gz DQVSGBBCKSMBAQ-HOTGVXAUSA-N 2 0 357.462 0.698 10 10 FCCERP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000832278526 1222525504 /nfs/dbraw/zinc/52/55/04/1222525504.db2.gz DQVSGBBCKSMBAQ-HZPDHXFCSA-N 2 0 357.462 0.698 10 10 FCCERP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC[NH3+])cc2F)CC1 ZINC000842216158 1222842514 /nfs/dbraw/zinc/84/25/14/1222842514.db2.gz ZUIZLZYXEZLKRI-UHFFFAOYSA-N 2 0 365.453 0.049 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC2)cc1 ZINC000923425149 1245719170 /nfs/dbraw/zinc/71/91/70/1245719170.db2.gz IKWKLCBYTKUDRN-HFSMHLIXSA-N 2 0 374.529 0.719 10 10 FCCERP CN1CCN(c2ccc(C[NH2+]C[C@]3(OCCO)CCOC3)cc2F)CC1 ZINC001327202747 1265252442 /nfs/dbraw/zinc/25/24/42/1265252442.db2.gz ZHQRUVBVLCIGIS-LJQANCHMSA-N 2 0 367.465 0.835 10 10 FCCERP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CNCCS3(=O)=O)cc2)CC1 ZINC000903969369 675984983 /nfs/dbraw/zinc/98/49/83/675984983.db2.gz XVIRKTZENZGLPP-SFHVURJKSA-N 2 0 366.531 0.305 10 10 FCCERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000872254557 1210182130 /nfs/dbraw/zinc/18/21/30/1210182130.db2.gz HKHBIDTUGWNUTM-GBESFXJTSA-N 2 0 372.469 0.890 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H](F)[C@H]([NH3+])C3)CC2)cc1 ZINC000923394787 1245714847 /nfs/dbraw/zinc/71/48/47/1245714847.db2.gz FEZMUTYFZGGDIA-QXAKKESOSA-N 2 0 366.481 0.549 10 10 FCCERP NC(=O)NC(=O)CC[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819200805 1203152363 /nfs/dbraw/zinc/15/23/63/1203152363.db2.gz VNRXGJBTHPDKBZ-UHFFFAOYSA-N 2 0 359.474 0.893 10 10 FCCERP CN1CCN(c2ccc(C[NH2+]C[C@@]3(OCCO)CCOC3)cc2F)CC1 ZINC001327202746 1265252413 /nfs/dbraw/zinc/25/24/13/1265252413.db2.gz ZHQRUVBVLCIGIS-IBGZPJMESA-N 2 0 367.465 0.835 10 10 FCCERP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(N3CCSCC3)cc2)CC1 ZINC000818964529 668965786 /nfs/dbraw/zinc/96/57/86/668965786.db2.gz YVNYHRLJRLCNNC-IBGZPJMESA-N 2 0 364.559 0.938 10 10 FCCERP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000872254555 1210182446 /nfs/dbraw/zinc/18/24/46/1210182446.db2.gz HKHBIDTUGWNUTM-CEXWTWQISA-N 2 0 372.469 0.890 10 10 FCCERP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000832278524 1222525649 /nfs/dbraw/zinc/52/56/49/1222525649.db2.gz DQVSGBBCKSMBAQ-CVEARBPZSA-N 2 0 357.462 0.698 10 10 FCCERP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000852791800 1209564581 /nfs/dbraw/zinc/56/45/81/1209564581.db2.gz MRLXHYDPQLDEKO-INIZCTEOSA-N 2 0 357.462 0.698 10 10 FCCERP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000843428713 1222876943 /nfs/dbraw/zinc/87/69/43/1222876943.db2.gz MBEZPZWXYRSNPJ-KRWDZBQOSA-N 2 0 359.518 0.990 10 10 FCCERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854220998 671569956 /nfs/dbraw/zinc/56/99/56/671569956.db2.gz DMDWXASVPTZUSW-MRXNPFEDSA-N 2 0 355.504 0.765 10 10 FCCERP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000842131057 1222836116 /nfs/dbraw/zinc/83/61/16/1222836116.db2.gz PINJUSHDDUWGFK-OAHLLOKOSA-N 2 0 373.501 0.298 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@H]4CC[N@H+](C)[C@H]4C3)CC2)cc1 ZINC001618055998 1289882929 /nfs/dbraw/zinc/88/29/29/1289882929.db2.gz WCSIKYVVHMEOGV-LMNJBCLMSA-N 2 0 374.529 0.814 10 10 FCCERP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)CS(N)(=O)=O)cc2)CC1 ZINC000865813015 672253127 /nfs/dbraw/zinc/25/31/27/672253127.db2.gz BWLCIHQXJNGPTJ-UHFFFAOYSA-N 2 0 354.520 0.843 10 10 FCCERP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000775258902 1207562988 /nfs/dbraw/zinc/56/29/88/1207562988.db2.gz LYNURGUSCXCIBF-XLIONFOSSA-N 2 0 362.518 0.782 10 10 FCCERP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC4CC3(C[NH3+])C4)CC2)cc1 ZINC000923390013 1245714441 /nfs/dbraw/zinc/71/44/41/1245714441.db2.gz DVVXPVPYWQUJJU-KGXSXCIVSA-N 2 0 360.502 0.601 10 10 FCCERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000903492419 1218426714 /nfs/dbraw/zinc/42/67/14/1218426714.db2.gz CKTQYEDIVDONGW-YRNRMSPPSA-N 2 0 374.485 0.581 10 10 FCCERP