smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886487853 1125680559 /nfs/dbraw/zinc/68/05/59/1125680559.db2.gz XYAMTAJNJMWBLW-KGLIPLIRSA-N 2 1 296.430 3.692 20 10 CHCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000764806154 1118116643 /nfs/dbraw/zinc/11/66/43/1118116643.db2.gz KASAHCINFVLCOV-INIZCTEOSA-N 2 1 291.483 3.524 20 10 CHCDMP CCC(CC)[N@@H+](Cc1ccc(N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236789939 1131007316 /nfs/dbraw/zinc/00/73/16/1131007316.db2.gz BNBUKCOEDAELDJ-SAABIXHNSA-N 2 1 289.467 3.529 20 10 CHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1O ZINC000817981432 1131195030 /nfs/dbraw/zinc/19/50/30/1131195030.db2.gz JHMWOXYRISLVQX-NHYWBVRUSA-N 2 1 296.842 3.522 20 10 CHCDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ccccc2c1O ZINC000316830240 1135169044 /nfs/dbraw/zinc/16/90/44/1135169044.db2.gz RVFHFZKHYXGQQW-DZKIICNBSA-N 2 1 298.430 3.679 20 10 CHCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ccccc2c1O ZINC000316830240 1135169051 /nfs/dbraw/zinc/16/90/51/1135169051.db2.gz RVFHFZKHYXGQQW-DZKIICNBSA-N 2 1 298.430 3.679 20 10 CHCDMP CC(C)(C)[NH2+]CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000841006658 1124090791 /nfs/dbraw/zinc/09/07/91/1124090791.db2.gz MJSUKOTUDGMFQT-UHFFFAOYSA-N 2 1 290.451 3.525 20 10 CHCDMP CC(C)(C)[NH2+]CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000841006658 1124090793 /nfs/dbraw/zinc/09/07/93/1124090793.db2.gz MJSUKOTUDGMFQT-UHFFFAOYSA-N 2 1 290.451 3.525 20 10 CHCDMP Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(O)c1 ZINC000834908967 1131730193 /nfs/dbraw/zinc/73/01/93/1131730193.db2.gz NTCODEIWSGGIHF-HNNXBMFYSA-N 2 1 290.451 3.534 20 10 CHCDMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1O ZINC000155679867 261106082 /nfs/dbraw/zinc/10/60/82/261106082.db2.gz WTLYUUOENBRCRN-NVXWUHKLSA-N 2 1 290.451 3.553 20 10 CHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1O ZINC000183422006 1126886597 /nfs/dbraw/zinc/88/65/97/1126886597.db2.gz OATJOQRXVQDSRS-HOTGVXAUSA-N 2 1 290.451 3.555 20 10 CHCDMP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1O ZINC000817586027 1131174198 /nfs/dbraw/zinc/17/41/98/1131174198.db2.gz KZKWVSDXIXKQNO-LMWSTFAQSA-N 2 1 296.842 3.569 20 10 CHCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000817959623 1131191585 /nfs/dbraw/zinc/19/15/85/1131191585.db2.gz DRUSQCDGIFWEIS-OAHLLOKOSA-N 2 1 290.451 3.664 20 10 CHCDMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1O ZINC000841756182 1125594187 /nfs/dbraw/zinc/59/41/87/1125594187.db2.gz UTTZCKQSJWDYEQ-IACUBPJLSA-N 2 1 296.842 3.569 20 10 CHCDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(N(C)C)cc1 ZINC000764806230 1118116962 /nfs/dbraw/zinc/11/69/62/1118116962.db2.gz LRAIIWWTSJXPMW-SFHVURJKSA-N 2 1 291.483 3.524 20 10 CHCDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(Cl)ccc1O ZINC000834908361 1131730279 /nfs/dbraw/zinc/73/02/79/1131730279.db2.gz JAUCBGXXCDQQBN-GFCCVEGCSA-N 2 1 296.842 3.571 20 10 CHCDMP CC[N@@H+](CCC[NH2+]C1CCCCC1)Cc1ccccc1O ZINC001236043971 1130836069 /nfs/dbraw/zinc/83/60/69/1130836069.db2.gz HGZYKFXECIHHTH-UHFFFAOYSA-N 2 1 290.451 3.527 20 10 CHCDMP CC(C)[N@@H+](Cc1c(O)ccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001236469055 1130948504 /nfs/dbraw/zinc/94/85/04/1130948504.db2.gz TVABKIWBYXGVTN-MRXNPFEDSA-N 2 1 298.430 3.508 20 10 CHCDMP Cc1ccc(O)c([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000817959622 1131191492 /nfs/dbraw/zinc/19/14/92/1131191492.db2.gz DRUSQCDGIFWEIS-HNNXBMFYSA-N 2 1 290.451 3.664 20 10 CHCDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2c1O ZINC000194990344 1129140289 /nfs/dbraw/zinc/14/02/89/1129140289.db2.gz JVNWZBGSDUMWSJ-GJZGRUSLSA-N 2 1 298.430 3.538 20 10 CHCDMP CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000021300938 1124911080 /nfs/dbraw/zinc/91/10/80/1124911080.db2.gz GXHQODOJEUVJCW-GOEBONIOSA-N 2 1 298.430 3.680 20 10 CHCDMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062744832 520632047 /nfs/dbraw/zinc/63/20/47/520632047.db2.gz OWVWYCONVYSTEM-KGLIPLIRSA-N 2 1 296.430 3.692 20 10 CHCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(O)c1 ZINC000034675344 1128230969 /nfs/dbraw/zinc/23/09/69/1128230969.db2.gz RMVALPRXKFHQNA-JKSUJKDBSA-N 2 1 290.451 3.616 20 10 CHCDMP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(O)c1C ZINC000817957602 1131191344 /nfs/dbraw/zinc/19/13/44/1131191344.db2.gz DFNINISITYHVCI-PBHICJAKSA-N 2 1 290.451 3.567 20 10 CHCDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(Cl)ccc1O ZINC000834908362 1131729750 /nfs/dbraw/zinc/72/97/50/1131729750.db2.gz JAUCBGXXCDQQBN-LBPRGKRZSA-N 2 1 296.842 3.571 20 10 CHCDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cc(Cl)ccc1O ZINC000775489397 1122620700 /nfs/dbraw/zinc/62/07/00/1122620700.db2.gz ZBDBDZAWZGFSFL-OAHLLOKOSA-N 2 1 298.858 3.817 20 10 CHCDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1O ZINC000841756183 1125593864 /nfs/dbraw/zinc/59/38/64/1125593864.db2.gz UTTZCKQSJWDYEQ-UBHSHLNASA-N 2 1 296.842 3.569 20 10 CHCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2c1O ZINC000194990389 1129140336 /nfs/dbraw/zinc/14/03/36/1129140336.db2.gz JVNWZBGSDUMWSJ-HUUCEWRRSA-N 2 1 298.430 3.538 20 10 CHCDMP CCC[N@@H+](Cc1cc2ccccc2cc1O)C1CC[NH2+]CC1 ZINC001236185085 1130880952 /nfs/dbraw/zinc/88/09/52/1130880952.db2.gz VTYLIQLNSCAKKM-UHFFFAOYSA-N 2 1 298.430 3.509 20 10 CHCDMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(F)cc1O)C(C)C ZINC000185626714 1117860019 /nfs/dbraw/zinc/86/00/19/1117860019.db2.gz ZDLVIKAKCFAGEC-AWEZNQCLSA-N 2 1 296.430 3.691 20 10 CHCDMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1O ZINC000248533602 1129421172 /nfs/dbraw/zinc/42/11/72/1129421172.db2.gz TWQDRLNNFHQASA-WBVHZDCISA-N 2 1 290.451 3.697 20 10 CHCDMP Cc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c(O)c1 ZINC000817959353 1131192580 /nfs/dbraw/zinc/19/25/80/1131192580.db2.gz BTFVTWNUMMDHIL-OAHLLOKOSA-N 2 1 290.451 3.664 20 10 CHCDMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1O ZINC000185471840 1117828777 /nfs/dbraw/zinc/82/87/77/1117828777.db2.gz MIRSFLJMVLYVLM-BLLLJJGKSA-N 2 1 296.430 3.548 20 10 CHCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2c1O ZINC000194990361 1129140403 /nfs/dbraw/zinc/14/04/03/1129140403.db2.gz JVNWZBGSDUMWSJ-CABCVRRESA-N 2 1 298.430 3.538 20 10 CHCDMP CCC[N@@H+](Cc1ccc2ccccc2c1O)C1CC[NH2+]CC1 ZINC001236183937 1130881998 /nfs/dbraw/zinc/88/19/98/1130881998.db2.gz CGFOHMDRKCFTAS-UHFFFAOYSA-N 2 1 298.430 3.509 20 10 CHCDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000817963418 1131192111 /nfs/dbraw/zinc/19/21/11/1131192111.db2.gz UTMMSFSZUUUCAR-DGCLKSJQSA-N 2 1 284.831 3.522 20 10 CHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1O ZINC000817981431 1131195038 /nfs/dbraw/zinc/19/50/38/1131195038.db2.gz JHMWOXYRISLVQX-IAQYHMDHSA-N 2 1 296.842 3.522 20 10 CHCDMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(O)c1C ZINC000834909974 1131732210 /nfs/dbraw/zinc/73/22/10/1131732210.db2.gz VCSNCUGABXPOSV-OAHLLOKOSA-N 2 1 290.451 3.534 20 10 CHCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)c(C)cc1O ZINC001231871539 1132383821 /nfs/dbraw/zinc/38/38/21/1132383821.db2.gz NEJAJRRKZNQMPX-UHFFFAOYSA-N 2 1 298.858 3.518 20 10 CHCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ccccc2c1O ZINC000316830241 1135169658 /nfs/dbraw/zinc/16/96/58/1135169658.db2.gz RVFHFZKHYXGQQW-IJEWVQPXSA-N 2 1 298.430 3.679 20 10 CHCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ccccc2c1O ZINC000316830241 1135169663 /nfs/dbraw/zinc/16/96/63/1135169663.db2.gz RVFHFZKHYXGQQW-IJEWVQPXSA-N 2 1 298.430 3.679 20 10 CHCDMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886487854 1125679981 /nfs/dbraw/zinc/67/99/81/1125679981.db2.gz XYAMTAJNJMWBLW-UONOGXRCSA-N 2 1 296.430 3.692 20 10 CHCDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2ccccc2c1O ZINC000194990374 1129140590 /nfs/dbraw/zinc/14/05/90/1129140590.db2.gz JVNWZBGSDUMWSJ-LSDHHAIUSA-N 2 1 298.430 3.538 20 10 CHCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000248751617 1129426610 /nfs/dbraw/zinc/42/66/10/1129426610.db2.gz GSZNQJNOBJRBGO-HZPDHXFCSA-N 2 1 290.451 3.616 20 10 CHCDMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1O ZINC000841756181 1125593832 /nfs/dbraw/zinc/59/38/32/1125593832.db2.gz UTTZCKQSJWDYEQ-FPMFFAJLSA-N 2 1 296.842 3.569 20 10 CHCDMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1O ZINC000185471804 1117827007 /nfs/dbraw/zinc/82/70/07/1117827007.db2.gz MIRSFLJMVLYVLM-LRDDRELGSA-N 2 1 296.430 3.548 20 10 CHCDMP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000035628599 1128319476 /nfs/dbraw/zinc/31/94/76/1128319476.db2.gz GSZNQJNOBJRBGO-JKSUJKDBSA-N 2 1 290.451 3.616 20 10 CHCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000248751610 1128858940 /nfs/dbraw/zinc/85/89/40/1128858940.db2.gz GSZNQJNOBJRBGO-CVEARBPZSA-N 2 1 290.451 3.616 20 10 CHCDMP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(O)c1C ZINC000817957616 1131191187 /nfs/dbraw/zinc/19/11/87/1131191187.db2.gz DFNINISITYHVCI-WMLDXEAASA-N 2 1 290.451 3.567 20 10 CHCDMP Cc1ccc([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c(O)c1 ZINC000817959352 1131192760 /nfs/dbraw/zinc/19/27/60/1131192760.db2.gz BTFVTWNUMMDHIL-HNNXBMFYSA-N 2 1 290.451 3.664 20 10 CHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000183493792 1126887285 /nfs/dbraw/zinc/88/72/85/1126887285.db2.gz WMVNYGLWAVAOSI-HNNXBMFYSA-N 2 1 298.430 3.695 20 10 CHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1O ZINC000183421991 1126886441 /nfs/dbraw/zinc/88/64/41/1126886441.db2.gz OATJOQRXVQDSRS-CVEARBPZSA-N 2 1 290.451 3.555 20 10 CHCDMP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C)cc1O ZINC000834908304 1131730759 /nfs/dbraw/zinc/73/07/59/1131730759.db2.gz IBUZQWBIRDBOTG-KRWDZBQOSA-N 2 1 290.451 3.616 20 10 CHCDMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccccc1O ZINC000037901094 1129287468 /nfs/dbraw/zinc/28/74/68/1129287468.db2.gz XMSQNBNJSMXUKH-OAHLLOKOSA-N 2 1 290.451 3.697 20 10 CHCDMP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1O ZINC000817586028 1131174017 /nfs/dbraw/zinc/17/40/17/1131174017.db2.gz KZKWVSDXIXKQNO-XGNXJENSSA-N 2 1 296.842 3.569 20 10 CHCDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000817963422 1131192742 /nfs/dbraw/zinc/19/27/42/1131192742.db2.gz UTMMSFSZUUUCAR-YPMHNXCESA-N 2 1 284.831 3.522 20 10 CHCDMP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(Cl)cc1O ZINC000841757992 1132393635 /nfs/dbraw/zinc/39/36/35/1132393635.db2.gz QXFGYOUZLWNKKE-GFCCVEGCSA-N 2 1 296.842 3.571 20 10 CHCDMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1O ZINC000841757992 1132393642 /nfs/dbraw/zinc/39/36/42/1132393642.db2.gz QXFGYOUZLWNKKE-GFCCVEGCSA-N 2 1 296.842 3.571 20 10 CHCDMP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cc(Cl)ccc1O ZINC000775489395 1122620634 /nfs/dbraw/zinc/62/06/34/1122620634.db2.gz ZBDBDZAWZGFSFL-HNNXBMFYSA-N 2 1 298.858 3.817 20 10 CHCDMP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)c(O)c1C ZINC000817957618 1131191554 /nfs/dbraw/zinc/19/15/54/1131191554.db2.gz DFNINISITYHVCI-YOEHRIQHSA-N 2 1 290.451 3.567 20 10 CHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1O ZINC000817981433 1131195142 /nfs/dbraw/zinc/19/51/42/1131195142.db2.gz JHMWOXYRISLVQX-XHDPSFHLSA-N 2 1 296.842 3.522 20 10 CHCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000236666607 519629451 /nfs/dbraw/zinc/62/94/51/519629451.db2.gz BJCHMRZHEIVLEW-UHFFFAOYSA-N 2 1 298.430 3.522 20 10 CHCDMP CCC[NH+](CCC)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000733327002 1121978204 /nfs/dbraw/zinc/97/82/04/1121978204.db2.gz KCUAYTOIGOFDSL-UHFFFAOYSA-N 2 1 298.858 3.647 20 10 CHCDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(O)c1 ZINC000248532738 1129421045 /nfs/dbraw/zinc/42/10/45/1129421045.db2.gz RMVALPRXKFHQNA-HZPDHXFCSA-N 2 1 290.451 3.616 20 10 CHCDMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(C)C)cc1O ZINC001237056801 1131043783 /nfs/dbraw/zinc/04/37/83/1131043783.db2.gz ZTHNZTPNPPMNDB-UHFFFAOYSA-N 2 1 292.467 3.679 20 10 CHCDMP C[N@@H+](CCCC[NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000835063425 1131768555 /nfs/dbraw/zinc/76/85/55/1131768555.db2.gz LFNUVKBWYHOFKN-UHFFFAOYSA-N 2 1 298.430 3.509 20 10 CHCDMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccc1O ZINC000020827441 1124879040 /nfs/dbraw/zinc/87/90/40/1124879040.db2.gz MVAPOAAEKPPJKF-INIZCTEOSA-N 2 1 298.430 3.565 20 10 CHCDMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1O ZINC000155679640 261105722 /nfs/dbraw/zinc/10/57/22/261105722.db2.gz WTLYUUOENBRCRN-DOTOQJQBSA-N 2 1 290.451 3.553 20 10 CHCDMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1O ZINC000155679517 261106135 /nfs/dbraw/zinc/10/61/35/261106135.db2.gz WTLYUUOENBRCRN-RDJZCZTQSA-N 2 1 290.451 3.553 20 10 CHCDMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062744834 520630613 /nfs/dbraw/zinc/63/06/13/520630613.db2.gz OWVWYCONVYSTEM-ZIAGYGMSSA-N 2 1 296.430 3.692 20 10 CHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1O ZINC000183421708 1126886683 /nfs/dbraw/zinc/88/66/83/1126886683.db2.gz HMUHRVRVRNOJNO-CVEARBPZSA-N 2 1 290.451 3.697 20 10 CHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000764806157 1118116518 /nfs/dbraw/zinc/11/65/18/1118116518.db2.gz KASAHCINFVLCOV-MRXNPFEDSA-N 2 1 291.483 3.524 20 10 CHCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(O)c1 ZINC000020088833 1123358094 /nfs/dbraw/zinc/35/80/94/1123358094.db2.gz RMVALPRXKFHQNA-CVEARBPZSA-N 2 1 290.451 3.616 20 10 CHCDMP Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(O)c1 ZINC000834908968 1131730139 /nfs/dbraw/zinc/73/01/39/1131730139.db2.gz NTCODEIWSGGIHF-OAHLLOKOSA-N 2 1 290.451 3.534 20 10 CHCDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2ccccc2c1O ZINC000316830244 1135169269 /nfs/dbraw/zinc/16/92/69/1135169269.db2.gz RVFHFZKHYXGQQW-YCPHGPKFSA-N 2 1 298.430 3.679 20 10 CHCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2ccccc2c1O ZINC000316830244 1135169273 /nfs/dbraw/zinc/16/92/73/1135169273.db2.gz RVFHFZKHYXGQQW-YCPHGPKFSA-N 2 1 298.430 3.679 20 10 CHCDMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000273440200 1129125828 /nfs/dbraw/zinc/12/58/28/1129125828.db2.gz YHGWRJCCBPZMBT-CQSZACIVSA-N 2 1 298.430 3.680 20 10 CHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1O ZINC000817981430 1131195328 /nfs/dbraw/zinc/19/53/28/1131195328.db2.gz JHMWOXYRISLVQX-ABAIWWIYSA-N 2 1 296.842 3.522 20 10 CHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1O ZINC000183421723 1126886824 /nfs/dbraw/zinc/88/68/24/1126886824.db2.gz HMUHRVRVRNOJNO-HOTGVXAUSA-N 2 1 290.451 3.697 20 10 CHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000183493811 1126887717 /nfs/dbraw/zinc/88/77/17/1126887717.db2.gz WMVNYGLWAVAOSI-OAHLLOKOSA-N 2 1 298.430 3.695 20 10 CHCDMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(F)cc1O)C(C)C ZINC000185626732 1117859609 /nfs/dbraw/zinc/85/96/09/1117859609.db2.gz ZDLVIKAKCFAGEC-CQSZACIVSA-N 2 1 296.430 3.691 20 10 CHCDMP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccc(N(C)C)cc1 ZINC000764806228 1118116921 /nfs/dbraw/zinc/11/69/21/1118116921.db2.gz LRAIIWWTSJXPMW-GOSISDBHSA-N 2 1 291.483 3.524 20 10 CHCDMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000273440199 1129125906 /nfs/dbraw/zinc/12/59/06/1129125906.db2.gz YHGWRJCCBPZMBT-AWEZNQCLSA-N 2 1 298.430 3.680 20 10 CHCDMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1O ZINC000185471860 1117828342 /nfs/dbraw/zinc/82/83/42/1117828342.db2.gz MIRSFLJMVLYVLM-MLGOLLRUSA-N 2 1 296.430 3.548 20 10 CHCDMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1O ZINC000155679754 261106124 /nfs/dbraw/zinc/10/61/24/261106124.db2.gz WTLYUUOENBRCRN-WBVHZDCISA-N 2 1 290.451 3.553 20 10 CHCDMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062744833 520636549 /nfs/dbraw/zinc/63/65/49/520636549.db2.gz OWVWYCONVYSTEM-KBPBESRZSA-N 2 1 296.430 3.692 20 10 CHCDMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(C)cc1O ZINC000280296092 522560555 /nfs/dbraw/zinc/56/05/55/522560555.db2.gz ZPISAYRVNIESCR-KRWDZBQOSA-N 2 1 290.451 3.614 20 10 CHCDMP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886487855 1125680111 /nfs/dbraw/zinc/68/01/11/1125680111.db2.gz XYAMTAJNJMWBLW-ZIAGYGMSSA-N 2 1 296.430 3.692 20 10 CHCDMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(F)cc1O ZINC000185471822 1117826497 /nfs/dbraw/zinc/82/64/97/1117826497.db2.gz MIRSFLJMVLYVLM-WBMJQRKESA-N 2 1 296.430 3.548 20 10 CHCDMP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)c(O)c1C ZINC000817957614 1131191265 /nfs/dbraw/zinc/19/12/65/1131191265.db2.gz DFNINISITYHVCI-RHSMWYFYSA-N 2 1 290.451 3.567 20 10 CHCDMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1O ZINC000019913135 1124771053 /nfs/dbraw/zinc/77/10/53/1124771053.db2.gz TWQDRLNNFHQASA-RDJZCZTQSA-N 2 1 290.451 3.697 20 10 CHCDMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886487852 1125680375 /nfs/dbraw/zinc/68/03/75/1125680375.db2.gz XYAMTAJNJMWBLW-KBPBESRZSA-N 2 1 296.430 3.692 20 10 CHCDMP CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000021300942 1124911209 /nfs/dbraw/zinc/91/12/09/1124911209.db2.gz GXHQODOJEUVJCW-HOCLYGCPSA-N 2 1 298.430 3.680 20 10 CHCDMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000249370314 261250058 /nfs/dbraw/zinc/25/00/58/261250058.db2.gz AKWOZKOBNZUWOX-CABCVRRESA-N 2 1 298.430 3.538 20 10 CHCDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1O ZINC000841756184 1125595457 /nfs/dbraw/zinc/59/54/57/1125595457.db2.gz UTTZCKQSJWDYEQ-YUTCNCBUSA-N 2 1 296.842 3.569 20 10 CHCDMP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000035628600 1128319935 /nfs/dbraw/zinc/31/99/35/1128319935.db2.gz GSZNQJNOBJRBGO-HOTGVXAUSA-N 2 1 290.451 3.616 20 10 CHCDMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000249370318 261249797 /nfs/dbraw/zinc/24/97/97/261249797.db2.gz AKWOZKOBNZUWOX-HUUCEWRRSA-N 2 1 298.430 3.538 20 10 CHCDMP CC(C)[NH+](CCC[NH2+]Cc1c(O)cccc1Cl)C(C)C ZINC000776233042 1123172205 /nfs/dbraw/zinc/17/22/05/1123172205.db2.gz XSNUQUFJVOJIAU-UHFFFAOYSA-N 2 1 298.858 3.644 20 10 CHCDMP CC(C)[N@H+](Cc1cc2ccccc2cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236470666 1130949510 /nfs/dbraw/zinc/94/95/10/1130949510.db2.gz LBSKWVNRAFXZSG-GOSISDBHSA-N 2 1 298.430 3.508 20 10 CHCDMP CC(C)[N@@H+](Cc1cc2ccccc2cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236470666 1130949515 /nfs/dbraw/zinc/94/95/15/1130949515.db2.gz LBSKWVNRAFXZSG-GOSISDBHSA-N 2 1 298.430 3.508 20 10 CHCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000817963420 1131192356 /nfs/dbraw/zinc/19/23/56/1131192356.db2.gz UTMMSFSZUUUCAR-WCQYABFASA-N 2 1 284.831 3.522 20 10 CHCDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000817963416 1131192909 /nfs/dbraw/zinc/19/29/09/1131192909.db2.gz UTMMSFSZUUUCAR-AAEUAGOBSA-N 2 1 284.831 3.522 20 10 CHCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2ccccc2c1O ZINC000316830242 1135169421 /nfs/dbraw/zinc/16/94/21/1135169421.db2.gz RVFHFZKHYXGQQW-OFQRWUPVSA-N 2 1 298.430 3.679 20 10 CHCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2ccccc2c1O ZINC000316830242 1135169424 /nfs/dbraw/zinc/16/94/24/1135169424.db2.gz RVFHFZKHYXGQQW-OFQRWUPVSA-N 2 1 298.430 3.679 20 10 CHCDMP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(Cl)cc1O ZINC000841757994 1125597775 /nfs/dbraw/zinc/59/77/75/1125597775.db2.gz QXFGYOUZLWNKKE-LBPRGKRZSA-N 2 1 296.842 3.571 20 10 CHCDMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1O ZINC000841757994 1125597779 /nfs/dbraw/zinc/59/77/79/1125597779.db2.gz QXFGYOUZLWNKKE-LBPRGKRZSA-N 2 1 296.842 3.571 20 10 CHCDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(O)c1 ZINC000020088835 1124804613 /nfs/dbraw/zinc/80/46/13/1124804613.db2.gz RMVALPRXKFHQNA-HOTGVXAUSA-N 2 1 290.451 3.616 20 10 CHCDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccccc1O ZINC000248533601 1129421324 /nfs/dbraw/zinc/42/13/24/1129421324.db2.gz TWQDRLNNFHQASA-NVXWUHKLSA-N 2 1 290.451 3.697 20 10 CHCDMP CCC[N@@H+](Cc1c(O)ccc2ccccc21)C1CC[NH2+]CC1 ZINC001236182283 1130882715 /nfs/dbraw/zinc/88/27/15/1130882715.db2.gz JDHKHOIBBAZXQH-UHFFFAOYSA-N 2 1 298.430 3.509 20 10 CHCDMP C[N@@H+](CCCC[NH3+])Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001236142643 1130874537 /nfs/dbraw/zinc/87/45/37/1130874537.db2.gz ZGHJYKVDCBECDJ-UHFFFAOYSA-N 2 1 298.858 3.514 20 10 CHCDMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccccc1O ZINC000020827438 1124878750 /nfs/dbraw/zinc/87/87/50/1124878750.db2.gz MVAPOAAEKPPJKF-MRXNPFEDSA-N 2 1 298.430 3.565 20 10 CHCDMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccccc1O ZINC000037901093 1129287362 /nfs/dbraw/zinc/28/73/62/1129287362.db2.gz XMSQNBNJSMXUKH-HNNXBMFYSA-N 2 1 290.451 3.697 20 10 CHCDMP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C)cc1O ZINC000834908305 1131729806 /nfs/dbraw/zinc/72/98/06/1131729806.db2.gz IBUZQWBIRDBOTG-QGZVFWFLSA-N 2 1 290.451 3.616 20 10 CHCDMP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c(O)c1C ZINC000834909969 1131732293 /nfs/dbraw/zinc/73/22/93/1131732293.db2.gz VCSNCUGABXPOSV-HNNXBMFYSA-N 2 1 290.451 3.534 20 10 CHCDMP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062744835 520637886 /nfs/dbraw/zinc/63/78/86/520637886.db2.gz OWVWYCONVYSTEM-UONOGXRCSA-N 2 1 296.430 3.692 20 10 CHCDMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(C)cc1O ZINC000280297689 522809365 /nfs/dbraw/zinc/80/93/65/522809365.db2.gz ZPISAYRVNIESCR-QGZVFWFLSA-N 2 1 290.451 3.614 20 10 CHCDMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1O ZINC000019913133 1124770793 /nfs/dbraw/zinc/77/07/93/1124770793.db2.gz TWQDRLNNFHQASA-DOTOQJQBSA-N 2 1 290.451 3.697 20 10 CHCDMP