smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1NC(C)=O ZINC000160250520 546023426 /nfs/dbraw/zinc/02/34/26/546023426.db2.gz YJNHACLLLURVQO-HNNXBMFYSA-N 1 3 362.518 2.330 20 70 FEIDHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160638400 546059237 /nfs/dbraw/zinc/05/92/37/546059237.db2.gz ZNXSVQWIHLHRKI-KRWDZBQOSA-N 1 3 360.502 2.370 20 70 FEIDHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160638400 546059239 /nfs/dbraw/zinc/05/92/39/546059239.db2.gz ZNXSVQWIHLHRKI-KRWDZBQOSA-N 1 3 360.502 2.370 20 70 FEIDHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160784818 546072160 /nfs/dbraw/zinc/07/21/60/546072160.db2.gz HIEPWNDLKVUHIZ-MOPGFXCFSA-N 1 3 362.518 2.042 20 70 FEIDHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160658060 546060491 /nfs/dbraw/zinc/06/04/91/546060491.db2.gz IPNBOPNTLROJHF-IBGZPJMESA-N 1 3 362.493 2.383 20 70 FEIDHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160658060 546060495 /nfs/dbraw/zinc/06/04/95/546060495.db2.gz IPNBOPNTLROJHF-IBGZPJMESA-N 1 3 362.493 2.383 20 70 FEIDHO CCN1CCC[C@@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000160794733 546073375 /nfs/dbraw/zinc/07/33/75/546073375.db2.gz JBAYDAXXFCQSDA-GOSISDBHSA-N 1 3 359.518 2.424 20 70 FEIDHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160796214 546073027 /nfs/dbraw/zinc/07/30/27/546073027.db2.gz KVKBXYQLRVYRKU-GOSISDBHSA-N 1 3 359.518 2.172 20 70 FEIDHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160796214 546073030 /nfs/dbraw/zinc/07/30/30/546073030.db2.gz KVKBXYQLRVYRKU-GOSISDBHSA-N 1 3 359.518 2.172 20 70 FEIDHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160271458 546025511 /nfs/dbraw/zinc/02/55/11/546025511.db2.gz MRRKZTZWNARWQB-RLLQIKCJSA-N 1 3 354.498 2.305 20 70 FEIDHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000160271458 546025514 /nfs/dbraw/zinc/02/55/14/546025514.db2.gz MRRKZTZWNARWQB-RLLQIKCJSA-N 1 3 354.498 2.305 20 70 FEIDHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160784942 546072373 /nfs/dbraw/zinc/07/23/73/546072373.db2.gz HIEPWNDLKVUHIZ-OALUTQOASA-N 1 3 362.518 2.042 20 70 FEIDHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000160271227 546026348 /nfs/dbraw/zinc/02/63/48/546026348.db2.gz MRRKZTZWNARWQB-HOJAQTOUSA-N 1 3 354.498 2.305 20 70 FEIDHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](N3CC=CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000160271227 546026355 /nfs/dbraw/zinc/02/63/55/546026355.db2.gz MRRKZTZWNARWQB-HOJAQTOUSA-N 1 3 354.498 2.305 20 70 FEIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000161342656 326996275 /nfs/dbraw/zinc/99/62/75/326996275.db2.gz BCLRDLZFGXFUMR-YLJYHZDGSA-N 1 3 369.513 2.263 20 70 FEIDHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160691653 546063221 /nfs/dbraw/zinc/06/32/21/546063221.db2.gz SENBQLOTSNASGL-IBGZPJMESA-N 1 3 362.493 2.383 20 70 FEIDHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160691653 546063225 /nfs/dbraw/zinc/06/32/25/546063225.db2.gz SENBQLOTSNASGL-IBGZPJMESA-N 1 3 362.493 2.383 20 70 FEIDHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1)C(C)C ZINC000160268961 546023795 /nfs/dbraw/zinc/02/37/95/546023795.db2.gz OTGUWTXFCUONCZ-HXUWFJFHSA-N 1 3 361.530 2.494 20 70 FEIDHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1)C(C)C ZINC000160268961 546023800 /nfs/dbraw/zinc/02/38/00/546023800.db2.gz OTGUWTXFCUONCZ-HXUWFJFHSA-N 1 3 361.530 2.494 20 70 FEIDHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1)C1CC1 ZINC000160187405 546015618 /nfs/dbraw/zinc/01/56/18/546015618.db2.gz SNVIHXIHFSYSBD-FQEVSTJZSA-N 1 3 359.514 2.248 20 70 FEIDHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1)C1CC1 ZINC000160187405 546015623 /nfs/dbraw/zinc/01/56/23/546015623.db2.gz SNVIHXIHFSYSBD-FQEVSTJZSA-N 1 3 359.514 2.248 20 70 FEIDHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160796350 546073743 /nfs/dbraw/zinc/07/37/43/546073743.db2.gz KVKBXYQLRVYRKU-SFHVURJKSA-N 1 3 359.518 2.172 20 70 FEIDHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160796350 546073748 /nfs/dbraw/zinc/07/37/48/546073748.db2.gz KVKBXYQLRVYRKU-SFHVURJKSA-N 1 3 359.518 2.172 20 70 FEIDHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160709606 546064565 /nfs/dbraw/zinc/06/45/65/546064565.db2.gz CXDYPRHZQXWEEJ-GOEBONIOSA-N 1 3 372.506 2.117 20 70 FEIDHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160709606 546064568 /nfs/dbraw/zinc/06/45/68/546064568.db2.gz CXDYPRHZQXWEEJ-GOEBONIOSA-N 1 3 372.506 2.117 20 70 FEIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000161234773 546111882 /nfs/dbraw/zinc/11/18/82/546111882.db2.gz INYFZOSJCMRLPS-QFBILLFUSA-N 1 3 359.518 2.343 20 70 FEIDHO C[C@@H](CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C[NH+]1CCCC1 ZINC000160094019 326953205 /nfs/dbraw/zinc/95/32/05/326953205.db2.gz SWSAIUAWHYQHQV-SFHVURJKSA-N 1 3 373.541 2.353 20 70 FEIDHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160761052 546070034 /nfs/dbraw/zinc/07/00/34/546070034.db2.gz GCZYQUFEZVSIHL-GOSISDBHSA-N 1 3 362.493 2.383 20 70 FEIDHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160761052 546070040 /nfs/dbraw/zinc/07/00/40/546070040.db2.gz GCZYQUFEZVSIHL-GOSISDBHSA-N 1 3 362.493 2.383 20 70 FEIDHO CC[N@@H+]1CCCN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000161185106 546107800 /nfs/dbraw/zinc/10/78/00/546107800.db2.gz ZKPBFALUAWXSAU-QGZVFWFLSA-N 1 3 359.518 2.344 20 70 FEIDHO CC[N@H+]1CCCN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000161185106 546107802 /nfs/dbraw/zinc/10/78/02/546107802.db2.gz ZKPBFALUAWXSAU-QGZVFWFLSA-N 1 3 359.518 2.344 20 70 FEIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000161234889 326992717 /nfs/dbraw/zinc/99/27/17/326992717.db2.gz INYFZOSJCMRLPS-VQIMIIECSA-N 1 3 359.518 2.343 20 70 FEIDHO Cc1nccn1CCCN(C)[C@@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261579 546023248 /nfs/dbraw/zinc/02/32/48/546023248.db2.gz PICNOGZIIZQKSJ-GOSISDBHSA-N 1 3 372.444 2.023 20 70 FEIDHO CC[N@@H+]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000161185017 546108114 /nfs/dbraw/zinc/10/81/14/546108114.db2.gz ZKPBFALUAWXSAU-KRWDZBQOSA-N 1 3 359.518 2.344 20 70 FEIDHO CC[N@H+]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000161185017 546108119 /nfs/dbraw/zinc/10/81/19/546108119.db2.gz ZKPBFALUAWXSAU-KRWDZBQOSA-N 1 3 359.518 2.344 20 70 FEIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000161259545 546114326 /nfs/dbraw/zinc/11/43/26/546114326.db2.gz QOLJZCBZNAXXFI-AHRSYUTCSA-N 1 3 371.529 2.485 20 70 FEIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000161259545 546114335 /nfs/dbraw/zinc/11/43/35/546114335.db2.gz QOLJZCBZNAXXFI-AHRSYUTCSA-N 1 3 371.529 2.485 20 70 FEIDHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000160638291 546059023 /nfs/dbraw/zinc/05/90/23/546059023.db2.gz ZNXSVQWIHLHRKI-QGZVFWFLSA-N 1 3 360.502 2.370 20 70 FEIDHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160638291 546059026 /nfs/dbraw/zinc/05/90/26/546059026.db2.gz ZNXSVQWIHLHRKI-QGZVFWFLSA-N 1 3 360.502 2.370 20 70 FEIDHO CCN1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000159817512 545983308 /nfs/dbraw/zinc/98/33/08/545983308.db2.gz VGPUTVCIRGGPLQ-HXUWFJFHSA-N 1 3 358.530 2.288 20 70 FEIDHO CCN1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000159817512 545983311 /nfs/dbraw/zinc/98/33/11/545983311.db2.gz VGPUTVCIRGGPLQ-HXUWFJFHSA-N 1 3 358.530 2.288 20 70 FEIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000161264389 326993807 /nfs/dbraw/zinc/99/38/07/326993807.db2.gz JKCUHODWEZFCTG-FXAWDEMLSA-N 1 3 371.529 2.487 20 70 FEIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000161342481 326996282 /nfs/dbraw/zinc/99/62/82/326996282.db2.gz BCLRDLZFGXFUMR-XLIONFOSSA-N 1 3 369.513 2.263 20 70 FEIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000159936194 545993406 /nfs/dbraw/zinc/99/34/06/545993406.db2.gz PJXZGEBIIYNWIK-HOJAQTOUSA-N 1 3 356.514 2.387 20 70 FEIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000161234531 326992832 /nfs/dbraw/zinc/99/28/32/326992832.db2.gz INYFZOSJCMRLPS-LPHOPBHVSA-N 1 3 359.518 2.343 20 70 FEIDHO CN(CCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554190 545962489 /nfs/dbraw/zinc/96/24/89/545962489.db2.gz DIVMGRGJTBRHSS-NRFANRHFSA-N 1 3 362.537 2.359 20 70 FEIDHO CN(CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554190 545962491 /nfs/dbraw/zinc/96/24/91/545962491.db2.gz DIVMGRGJTBRHSS-NRFANRHFSA-N 1 3 362.537 2.359 20 70 FEIDHO C[C@H](CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C[NH+]1CCCC1 ZINC000160094153 546007051 /nfs/dbraw/zinc/00/70/51/546007051.db2.gz SWSAIUAWHYQHQV-GOSISDBHSA-N 1 3 373.541 2.353 20 70 FEIDHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160441762 546041022 /nfs/dbraw/zinc/04/10/22/546041022.db2.gz QNIVNEOSFXVWGY-GOSISDBHSA-N 1 3 371.529 2.424 20 70 FEIDHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000160441762 546041026 /nfs/dbraw/zinc/04/10/26/546041026.db2.gz QNIVNEOSFXVWGY-GOSISDBHSA-N 1 3 371.529 2.424 20 70 FEIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000161259434 546114388 /nfs/dbraw/zinc/11/43/88/546114388.db2.gz QOLJZCBZNAXXFI-DBVUQKKJSA-N 1 3 371.529 2.485 20 70 FEIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000161259434 546114393 /nfs/dbraw/zinc/11/43/93/546114393.db2.gz QOLJZCBZNAXXFI-DBVUQKKJSA-N 1 3 371.529 2.485 20 70 FEIDHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000160228374 326957919 /nfs/dbraw/zinc/95/79/19/326957919.db2.gz KXYRFMYJXLJBGN-KRWDZBQOSA-N 1 3 358.530 2.490 20 70 FEIDHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000159817378 545983249 /nfs/dbraw/zinc/98/32/49/545983249.db2.gz VGPUTVCIRGGPLQ-FQEVSTJZSA-N 1 3 358.530 2.288 20 70 FEIDHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000159817378 545983252 /nfs/dbraw/zinc/98/32/52/545983252.db2.gz VGPUTVCIRGGPLQ-FQEVSTJZSA-N 1 3 358.530 2.288 20 70 FEIDHO COc1cc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc(OC)c1OC ZINC000160204357 546017088 /nfs/dbraw/zinc/01/70/88/546017088.db2.gz YZVQKRIJDZGNHF-OAHLLOKOSA-N 1 3 365.518 2.389 20 70 FEIDHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159608872 545967124 /nfs/dbraw/zinc/96/71/24/545967124.db2.gz UFHGJFHOTILCMJ-LMNJBCLMSA-N 1 3 373.541 2.249 20 70 FEIDHO CN(C)[C@@H](CNC(=O)CN1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000160195532 326956929 /nfs/dbraw/zinc/95/69/29/326956929.db2.gz QFXVOKKUQYYPMX-NRFANRHFSA-N 1 3 374.573 2.459 20 70 FEIDHO OC1CCN(Cc2ccccc2C[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000161185534 326991116 /nfs/dbraw/zinc/99/11/16/326991116.db2.gz MLUOWUDSCXYEKX-UHFFFAOYSA-N 1 3 367.484 2.462 20 70 FEIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000159942550 545994179 /nfs/dbraw/zinc/99/41/79/545994179.db2.gz GTRHAPBQVGSIAM-XEYPJELSSA-N 1 3 358.530 2.489 20 70 FEIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000159942550 545994182 /nfs/dbraw/zinc/99/41/82/545994182.db2.gz GTRHAPBQVGSIAM-XEYPJELSSA-N 1 3 358.530 2.489 20 70 FEIDHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC(NC(C)=O)CC3)cc2)CC1 ZINC000161301868 546118511 /nfs/dbraw/zinc/11/85/11/546118511.db2.gz RTQZDJAVGLIIIL-UHFFFAOYSA-N 1 3 372.557 2.361 20 70 FEIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000161234653 326992797 /nfs/dbraw/zinc/99/27/97/326992797.db2.gz INYFZOSJCMRLPS-APWZRJJASA-N 1 3 359.518 2.343 20 70 FEIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000161264512 326993727 /nfs/dbraw/zinc/99/37/27/326993727.db2.gz JKCUHODWEZFCTG-YLJYHZDGSA-N 1 3 371.529 2.487 20 70 FEIDHO CN(c1ccccc1CN1CCC(CC(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000159793802 545980325 /nfs/dbraw/zinc/98/03/25/545980325.db2.gz MVBLWYRHNJQXTI-UHFFFAOYSA-N 1 3 358.530 2.304 20 70 FEIDHO CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007796 545999153 /nfs/dbraw/zinc/99/91/53/545999153.db2.gz UWEMUBSIDOLNGB-DFQSSKMNSA-N 1 3 358.530 2.490 20 70 FEIDHO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007796 545999157 /nfs/dbraw/zinc/99/91/57/545999157.db2.gz UWEMUBSIDOLNGB-DFQSSKMNSA-N 1 3 358.530 2.490 20 70 FEIDHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160785072 546072577 /nfs/dbraw/zinc/07/25/77/546072577.db2.gz HIEPWNDLKVUHIZ-RTBURBONSA-N 1 3 362.518 2.042 20 70 FEIDHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160582305 546053335 /nfs/dbraw/zinc/05/33/35/546053335.db2.gz MHSFCBFOZBSSHD-OAHLLOKOSA-N 1 3 359.470 2.071 20 70 FEIDHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000160698156 546063671 /nfs/dbraw/zinc/06/36/71/546063671.db2.gz TZYXRYRHWPTNFE-IBGZPJMESA-N 1 3 371.525 2.105 20 70 FEIDHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000160698156 546063676 /nfs/dbraw/zinc/06/36/76/546063676.db2.gz TZYXRYRHWPTNFE-IBGZPJMESA-N 1 3 371.525 2.105 20 70 FEIDHO O=C(NCCN1CCCCC1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000159536768 545961859 /nfs/dbraw/zinc/96/18/59/545961859.db2.gz IYJCTDGRRACNNM-UHFFFAOYSA-N 1 3 359.514 2.107 20 70 FEIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000159957575 545994461 /nfs/dbraw/zinc/99/44/61/545994461.db2.gz QNIQGOYSOSBPDD-RLLQIKCJSA-N 1 3 358.530 2.490 20 70 FEIDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000159957575 545994464 /nfs/dbraw/zinc/99/44/64/545994464.db2.gz QNIQGOYSOSBPDD-RLLQIKCJSA-N 1 3 358.530 2.490 20 70 FEIDHO Cc1nccn1CCCN(C)[C@H]1CC(=O)N(CCc2ccccc2F)C1=O ZINC000160261730 546022229 /nfs/dbraw/zinc/02/22/29/546022229.db2.gz PICNOGZIIZQKSJ-SFHVURJKSA-N 1 3 372.444 2.023 20 70 FEIDHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1)C(C)C ZINC000160268831 546024461 /nfs/dbraw/zinc/02/44/61/546024461.db2.gz OTGUWTXFCUONCZ-FQEVSTJZSA-N 1 3 361.530 2.494 20 70 FEIDHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1)C(C)C ZINC000160268831 546024464 /nfs/dbraw/zinc/02/44/64/546024464.db2.gz OTGUWTXFCUONCZ-FQEVSTJZSA-N 1 3 361.530 2.494 20 70 FEIDHO CC(C)N1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000160434674 546040981 /nfs/dbraw/zinc/04/09/81/546040981.db2.gz RNJCHZIHPHYSDT-UHFFFAOYSA-N 1 3 365.543 2.434 20 70 FEIDHO COc1cc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc(OC)c1OC ZINC000160204248 546016416 /nfs/dbraw/zinc/01/64/16/546016416.db2.gz YZVQKRIJDZGNHF-HNNXBMFYSA-N 1 3 365.518 2.389 20 70 FEIDHO Cc1nn(C)cc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000160296635 546026707 /nfs/dbraw/zinc/02/67/07/546026707.db2.gz DIDPQNCKUJHESX-UHFFFAOYSA-N 1 3 355.530 2.416 20 70 FEIDHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160785184 546072197 /nfs/dbraw/zinc/07/21/97/546072197.db2.gz HIEPWNDLKVUHIZ-RBUKOAKNSA-N 1 3 362.518 2.042 20 70 FEIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000161342550 546121177 /nfs/dbraw/zinc/12/11/77/546121177.db2.gz BCLRDLZFGXFUMR-FXAWDEMLSA-N 1 3 369.513 2.263 20 70 FEIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000161342550 546121181 /nfs/dbraw/zinc/12/11/81/546121181.db2.gz BCLRDLZFGXFUMR-FXAWDEMLSA-N 1 3 369.513 2.263 20 70 FEIDHO CN(C)[C@H](CNC(=O)CN1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000160195682 326956893 /nfs/dbraw/zinc/95/68/93/326956893.db2.gz QFXVOKKUQYYPMX-OAQYLSRUSA-N 1 3 374.573 2.459 20 70 FEIDHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007665 546000068 /nfs/dbraw/zinc/00/00/68/546000068.db2.gz UWEMUBSIDOLNGB-YSIASYRMSA-N 1 3 358.530 2.490 20 70 FEIDHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000160007665 546000071 /nfs/dbraw/zinc/00/00/71/546000071.db2.gz UWEMUBSIDOLNGB-YSIASYRMSA-N 1 3 358.530 2.490 20 70 FEIDHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160657912 546060214 /nfs/dbraw/zinc/06/02/14/546060214.db2.gz IPNBOPNTLROJHF-LJQANCHMSA-N 1 3 362.493 2.383 20 70 FEIDHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160657912 546060220 /nfs/dbraw/zinc/06/02/20/546060220.db2.gz IPNBOPNTLROJHF-LJQANCHMSA-N 1 3 362.493 2.383 20 70 FEIDHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160691494 546064148 /nfs/dbraw/zinc/06/41/48/546064148.db2.gz SENBQLOTSNASGL-LJQANCHMSA-N 1 3 362.493 2.383 20 70 FEIDHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160691494 546064154 /nfs/dbraw/zinc/06/41/54/546064154.db2.gz SENBQLOTSNASGL-LJQANCHMSA-N 1 3 362.493 2.383 20 70 FEIDHO CCN1CCC[C@H](NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000160794631 546073621 /nfs/dbraw/zinc/07/36/21/546073621.db2.gz JBAYDAXXFCQSDA-SFHVURJKSA-N 1 3 359.518 2.424 20 70 FEIDHO CC[NH2+]CC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000161122855 326988689 /nfs/dbraw/zinc/98/86/89/326988689.db2.gz JNSJINYHCFMXCB-UHFFFAOYSA-N 1 3 358.530 2.047 20 70 FEIDHO CCN1CCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000159817081 545982595 /nfs/dbraw/zinc/98/25/95/545982595.db2.gz YFFMGIXHLBLLDR-UHFFFAOYSA-N 1 3 362.518 2.254 20 70 FEIDHO CCCC(O)(CCC)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000161053475 546095790 /nfs/dbraw/zinc/09/57/90/546095790.db2.gz XBEBOOLJRVCPMT-UHFFFAOYSA-N 1 3 353.551 2.383 20 70 FEIDHO CN(CCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554034 545962401 /nfs/dbraw/zinc/96/24/01/545962401.db2.gz DIVMGRGJTBRHSS-OAQYLSRUSA-N 1 3 362.537 2.359 20 70 FEIDHO CN(CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000159554034 545962402 /nfs/dbraw/zinc/96/24/02/545962402.db2.gz DIVMGRGJTBRHSS-OAQYLSRUSA-N 1 3 362.537 2.359 20 70 FEIDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160236613 546020497 /nfs/dbraw/zinc/02/04/97/546020497.db2.gz GXPPIEXALBNBQQ-QRVBRYPASA-N 1 3 366.550 2.002 20 70 FEIDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160236613 546020499 /nfs/dbraw/zinc/02/04/99/546020499.db2.gz GXPPIEXALBNBQQ-QRVBRYPASA-N 1 3 366.550 2.002 20 70 FEIDHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160249514 546020949 /nfs/dbraw/zinc/02/09/49/546020949.db2.gz FBHODYGKOXMIKY-UHFFFAOYSA-N 1 3 369.513 2.383 20 70 FEIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000161264135 546114954 /nfs/dbraw/zinc/11/49/54/546114954.db2.gz JKCUHODWEZFCTG-PXNSSMCTSA-N 1 3 371.529 2.487 20 70 FEIDHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000159964006 545996303 /nfs/dbraw/zinc/99/63/03/545996303.db2.gz AYTNONGOWNQTMJ-HOJAQTOUSA-N 1 3 354.498 2.163 20 70 FEIDHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000159964006 545996307 /nfs/dbraw/zinc/99/63/07/545996307.db2.gz AYTNONGOWNQTMJ-HOJAQTOUSA-N 1 3 354.498 2.163 20 70 FEIDHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000161342386 326996341 /nfs/dbraw/zinc/99/63/41/326996341.db2.gz BCLRDLZFGXFUMR-PXNSSMCTSA-N 1 3 369.513 2.263 20 70 FEIDHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000160698239 546063905 /nfs/dbraw/zinc/06/39/05/546063905.db2.gz TZYXRYRHWPTNFE-LJQANCHMSA-N 1 3 371.525 2.105 20 70 FEIDHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000160698239 546063908 /nfs/dbraw/zinc/06/39/08/546063908.db2.gz TZYXRYRHWPTNFE-LJQANCHMSA-N 1 3 371.525 2.105 20 70 FEIDHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1)C1CC1 ZINC000160187546 546015440 /nfs/dbraw/zinc/01/54/40/546015440.db2.gz SNVIHXIHFSYSBD-HXUWFJFHSA-N 1 3 359.514 2.248 20 70 FEIDHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1)C1CC1 ZINC000160187546 546015443 /nfs/dbraw/zinc/01/54/43/546015443.db2.gz SNVIHXIHFSYSBD-HXUWFJFHSA-N 1 3 359.514 2.248 20 70 FEIDHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000160228504 546018505 /nfs/dbraw/zinc/01/85/05/546018505.db2.gz KXYRFMYJXLJBGN-QGZVFWFLSA-N 1 3 358.530 2.490 20 70 FEIDHO CC(=O)NC1CCC([NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000161031862 326985642 /nfs/dbraw/zinc/98/56/42/326985642.db2.gz FWGNSNSGKVBQEE-UHFFFAOYSA-N 1 3 359.514 2.180 20 70 FEIDHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160709730 546064670 /nfs/dbraw/zinc/06/46/70/546064670.db2.gz CXDYPRHZQXWEEJ-GDBMZVCRSA-N 1 3 372.506 2.117 20 70 FEIDHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160709730 546064674 /nfs/dbraw/zinc/06/46/74/546064674.db2.gz CXDYPRHZQXWEEJ-GDBMZVCRSA-N 1 3 372.506 2.117 20 70 FEIDHO COc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1NC(C)=O ZINC000160250649 326959175 /nfs/dbraw/zinc/95/91/75/326959175.db2.gz YJNHACLLLURVQO-OAHLLOKOSA-N 1 3 362.518 2.330 20 70 FEIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000159942414 545993617 /nfs/dbraw/zinc/99/36/17/545993617.db2.gz GTRHAPBQVGSIAM-CUDHKJQZSA-N 1 3 358.530 2.489 20 70 FEIDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000159942414 545993622 /nfs/dbraw/zinc/99/36/22/545993622.db2.gz GTRHAPBQVGSIAM-CUDHKJQZSA-N 1 3 358.530 2.489 20 70 FEIDHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160441622 546041296 /nfs/dbraw/zinc/04/12/96/546041296.db2.gz QNIVNEOSFXVWGY-SFHVURJKSA-N 1 3 371.529 2.424 20 70 FEIDHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000160441622 546041303 /nfs/dbraw/zinc/04/13/03/546041303.db2.gz QNIVNEOSFXVWGY-SFHVURJKSA-N 1 3 371.529 2.424 20 70 FEIDHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160761192 546070611 /nfs/dbraw/zinc/07/06/11/546070611.db2.gz GCZYQUFEZVSIHL-SFHVURJKSA-N 1 3 362.493 2.383 20 70 FEIDHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160761192 546070614 /nfs/dbraw/zinc/07/06/14/546070614.db2.gz GCZYQUFEZVSIHL-SFHVURJKSA-N 1 3 362.493 2.383 20 70 FEIDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000159957702 545994637 /nfs/dbraw/zinc/99/46/37/545994637.db2.gz QNIQGOYSOSBPDD-SXLOBPIMSA-N 1 3 358.530 2.490 20 70 FEIDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000159957702 545994641 /nfs/dbraw/zinc/99/46/41/545994641.db2.gz QNIQGOYSOSBPDD-SXLOBPIMSA-N 1 3 358.530 2.490 20 70 FEIDHO CCN1CCN(C(=O)CC2CCN(CCC[NH+]3CCCCC3)CC2)CC1 ZINC000161353697 546121959 /nfs/dbraw/zinc/12/19/59/546121959.db2.gz LSBNBIRRRDKPIX-UHFFFAOYSA-N 1 3 364.578 2.129 20 70 FEIDHO CCN1CCN(C(=O)CC2CC[NH+](CCCN3CCCCC3)CC2)CC1 ZINC000161353697 546121963 /nfs/dbraw/zinc/12/19/63/546121963.db2.gz LSBNBIRRRDKPIX-UHFFFAOYSA-N 1 3 364.578 2.129 20 70 FEIDHO Cc1cccc(N2CCN(CCC(=O)NCC3([NH3+])CCCCC3)CC2)c1 ZINC000159669956 545971403 /nfs/dbraw/zinc/97/14/03/545971403.db2.gz DUFPCEWCQHUADY-UHFFFAOYSA-N 1 3 358.530 2.285 20 70 FEIDHO NC(=O)N1CCC([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CC1 ZINC000159709247 545974470 /nfs/dbraw/zinc/97/44/70/545974470.db2.gz HXWHAAJCDJTDHX-UHFFFAOYSA-N 1 3 374.529 2.190 20 70 FEIDHO OC1CCN(Cc2ccccc2C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161032000 326985639 /nfs/dbraw/zinc/98/56/39/326985639.db2.gz VFHVGXMJXOQCQJ-UHFFFAOYSA-N 1 3 360.498 2.419 20 70 FEIDHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160582169 546054130 /nfs/dbraw/zinc/05/41/30/546054130.db2.gz MHSFCBFOZBSSHD-HNNXBMFYSA-N 1 3 359.470 2.071 20 70 FEIDHO FC(F)(F)COCCCN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160698263 546064108 /nfs/dbraw/zinc/06/41/08/546064108.db2.gz ZWXVDLFBFYGZLV-UHFFFAOYSA-N 1 3 351.457 2.449 20 70 FEIDHO O=C(CC1(N2CCOCC2)CCCC1)NCC[NH2+]C1CCCCCC1 ZINC000159629456 326937291 /nfs/dbraw/zinc/93/72/91/326937291.db2.gz SXXYEEVCNVTYPX-UHFFFAOYSA-N 1 3 351.535 2.450 20 70 FEIDHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000161264265 546114930 /nfs/dbraw/zinc/11/49/30/546114930.db2.gz JKCUHODWEZFCTG-XLIONFOSSA-N 1 3 371.529 2.487 20 70 FEIDHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000161302166 546118493 /nfs/dbraw/zinc/11/84/93/546118493.db2.gz VNEPKYWPQYUQDA-UHFFFAOYSA-N 1 3 372.557 2.361 20 70 FEIDHO