smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCN(C(=O)C(C)(C)N3CCCC3)CC2)cc(C)[nH+]1 ZINC000426506531 241300148 /nfs/dbraw/zinc/30/01/48/241300148.db2.gz BZSKILDAUDDCTG-UHFFFAOYSA-N 1 3 330.476 2.221 50 0 EEAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072458295 203228151 /nfs/dbraw/zinc/22/81/51/203228151.db2.gz KBOOPBTUWHEUHT-QGZVFWFLSA-N 1 3 333.476 2.401 50 0 EEAAHO C[NH+](C)CCN1C(=O)CC[C@@H]2CN(C/C=C/c3ccco3)CC[C@@H]21 ZINC000014986954 462936416 /nfs/dbraw/zinc/93/64/16/462936416.db2.gz URFJLNKSPSEUKG-JVEBIPGUSA-N 1 3 331.460 2.167 50 0 EEAAHO C[C@@H](C1CCN(Cc2cccc(OCC(N)=O)c2)CC1)[NH+]1CCCC1 ZINC000072429971 203223184 /nfs/dbraw/zinc/22/31/84/203223184.db2.gz WNHXZJHTDSEACM-INIZCTEOSA-N 1 3 345.487 2.247 50 0 EEAAHO CN(C)CCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000110657509 463662075 /nfs/dbraw/zinc/66/20/75/463662075.db2.gz JIXOXLWLOAXZOX-QZTJIDSGSA-N 1 3 332.492 2.273 50 0 EEAAHO CN(C)CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000110657509 463662077 /nfs/dbraw/zinc/66/20/77/463662077.db2.gz JIXOXLWLOAXZOX-QZTJIDSGSA-N 1 3 332.492 2.273 50 0 EEAAHO CC[NH+](CC)CCNC(=O)C1CCN(Cc2ccc(OC)cc2)CC1 ZINC000009849512 462808342 /nfs/dbraw/zinc/80/83/42/462808342.db2.gz WJKFIEYTTGEVMO-UHFFFAOYSA-N 1 3 347.503 2.365 50 0 EEAAHO Cc1cc(N2CCCN(C(=O)[C@H]3CCCCCN3C)CC2)cc[nH+]1 ZINC000095356267 463067860 /nfs/dbraw/zinc/06/78/60/463067860.db2.gz BXIVZBLTISOEKT-GOSISDBHSA-N 1 3 330.476 2.303 50 0 EEAAHO C[C@@H](C1CCN(Cc2cnn(C)c2C2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000077436497 203388881 /nfs/dbraw/zinc/38/88/81/203388881.db2.gz OZUAMBFUXSRFAL-INIZCTEOSA-N 1 3 345.535 2.145 50 0 EEAAHO CN(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(C)C1 ZINC000426473564 536025268 /nfs/dbraw/zinc/02/52/68/536025268.db2.gz LHUFOGASILKYAN-LJQANCHMSA-N 1 3 344.503 2.244 50 0 EEAAHO COCC[N@H+](C)C[C@@H]1CN(c2ccnc3ccc(C)cc32)C[C@@H]1CO ZINC000092001781 462917052 /nfs/dbraw/zinc/91/70/52/462917052.db2.gz QXHDJZGRVFWBTJ-IAGOWNOFSA-N 1 3 343.471 2.166 50 0 EEAAHO COCC[N@@H+](C)C[C@@H]1CN(c2ccnc3ccc(C)cc32)C[C@@H]1CO ZINC000092001781 462917059 /nfs/dbraw/zinc/91/70/59/462917059.db2.gz QXHDJZGRVFWBTJ-IAGOWNOFSA-N 1 3 343.471 2.166 50 0 EEAAHO CN(C)C[C@H](O)COc1ccc(C[N@H+](C)C2CCSCC2)cc1 ZINC000095509207 463099132 /nfs/dbraw/zinc/09/91/32/463099132.db2.gz NEVHKWUMHQOZNK-KRWDZBQOSA-N 1 3 338.517 2.315 50 0 EEAAHO CN(C)C[C@H](O)COc1ccc(C[N@@H+](C)C2CCSCC2)cc1 ZINC000095509207 463099137 /nfs/dbraw/zinc/09/91/37/463099137.db2.gz NEVHKWUMHQOZNK-KRWDZBQOSA-N 1 3 338.517 2.315 50 0 EEAAHO CCCCN(Cc1ccncc1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072421099 463510995 /nfs/dbraw/zinc/51/09/95/463510995.db2.gz TYYFTBZHMCBAPI-SFHVURJKSA-N 1 3 344.503 2.284 50 0 EEAAHO CC(C)(C[NH2+]CCc1nnc(-c2cccnc2)[nH]1)N1CCCCC1 ZINC000952979703 796127572 /nfs/dbraw/zinc/12/75/72/796127572.db2.gz RGSDAWUZESRYBY-UHFFFAOYSA-N 1 3 328.464 2.263 50 0 EEAAHO COc1cccc(CN2CCC[C@H](O)CC2)c1OCCC[NH+](C)C ZINC000216299319 241180356 /nfs/dbraw/zinc/18/03/56/241180356.db2.gz CLBAZOCFYKRYGS-KRWDZBQOSA-N 1 3 336.476 2.373 50 0 EEAAHO COc1cc2c(cc1CN1CC[NH+](C3CCN(C)CC3)CC1)CCC2 ZINC000216423719 241192167 /nfs/dbraw/zinc/19/21/67/241192167.db2.gz IZAXODLUOHHGCD-UHFFFAOYSA-N 1 3 343.515 2.396 50 0 EEAAHO CN1CC2(C[C@@H]1C(=O)NCCc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000072430672 203222794 /nfs/dbraw/zinc/22/27/94/203222794.db2.gz RVNARMHPSRUABH-MRXNPFEDSA-N 1 3 335.879 2.073 50 0 EEAAHO CSc1nc(N)cc(NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000824952192 800304325 /nfs/dbraw/zinc/30/43/25/800304325.db2.gz KSEMTCAPFCEZJR-UHFFFAOYSA-N 1 3 330.461 2.252 50 0 EEAAHO Cc1cc(N2CCCN(C(=O)[C@@H]3CCCCCN3C)CC2)cc[nH+]1 ZINC000095356266 463068901 /nfs/dbraw/zinc/06/89/01/463068901.db2.gz BXIVZBLTISOEKT-SFHVURJKSA-N 1 3 330.476 2.303 50 0 EEAAHO CN(C)CC1(CO)CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095501080 463096538 /nfs/dbraw/zinc/09/65/38/463096538.db2.gz ALIHMCPDKOMLEG-QGZVFWFLSA-N 1 3 332.488 2.264 50 0 EEAAHO Cc1c[nH+]ccc1N1CCC[N@H+](Cc2c([O-])c(C)ncc2CO)CC1 ZINC000067804500 215216229 /nfs/dbraw/zinc/21/62/29/215216229.db2.gz DWIAIEVAYIQXKN-UHFFFAOYSA-N 1 3 342.443 2.004 50 0 EEAAHO Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2c([O-])c(C)ncc2CO)CC1 ZINC000067804500 215216232 /nfs/dbraw/zinc/21/62/32/215216232.db2.gz DWIAIEVAYIQXKN-UHFFFAOYSA-N 1 3 342.443 2.004 50 0 EEAAHO COCCN1CC[C@H](CNC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670452061 485648584 /nfs/dbraw/zinc/64/85/84/485648584.db2.gz MJJDUYIECIUGAK-OAHLLOKOSA-N 1 3 339.524 2.018 50 0 EEAAHO CC[C@@H](C(=O)NC1CC[NH+](C2CCSCC2)CC1)N(C)CC ZINC000952975856 796119810 /nfs/dbraw/zinc/11/98/10/796119810.db2.gz LQONOHXJWFJNQJ-INIZCTEOSA-N 1 3 327.538 2.193 50 0 EEAAHO CN1CCCCC[C@@H]1C(=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000952988951 796157664 /nfs/dbraw/zinc/15/76/64/796157664.db2.gz ARXANYXVLFCOSF-QGZVFWFLSA-N 1 3 339.549 2.337 50 0 EEAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CNC)CC2)C1 ZINC000091694324 218049499 /nfs/dbraw/zinc/04/94/99/218049499.db2.gz UKHQQJWGZZZGJN-SFHVURJKSA-N 1 3 329.488 2.324 50 0 EEAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CNC)CC2)C1 ZINC000091694324 218049505 /nfs/dbraw/zinc/04/95/05/218049505.db2.gz UKHQQJWGZZZGJN-SFHVURJKSA-N 1 3 329.488 2.324 50 0 EEAAHO Cc1ccc(N2CCC([N@@H+]3CC[C@@]4(O)CCNC[C@H]4C3)CC2)cc1 ZINC000091829979 218073353 /nfs/dbraw/zinc/07/33/53/218073353.db2.gz JXFPAEBZMCQKNT-PXNSSMCTSA-N 1 3 329.488 2.010 50 0 EEAAHO Cc1ccc(N2CCC([N@H+]3CC[C@@]4(O)CCNC[C@H]4C3)CC2)cc1 ZINC000091829979 218073355 /nfs/dbraw/zinc/07/33/55/218073355.db2.gz JXFPAEBZMCQKNT-PXNSSMCTSA-N 1 3 329.488 2.010 50 0 EEAAHO Cc1ccc(N2CCC(N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC000091829979 218073356 /nfs/dbraw/zinc/07/33/56/218073356.db2.gz JXFPAEBZMCQKNT-PXNSSMCTSA-N 1 3 329.488 2.010 50 0 EEAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000014968132 462936392 /nfs/dbraw/zinc/93/63/92/462936392.db2.gz KBNZNEUBYCVOGB-IBGZPJMESA-N 1 3 331.504 2.494 50 0 EEAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000014968132 462936394 /nfs/dbraw/zinc/93/63/94/462936394.db2.gz KBNZNEUBYCVOGB-IBGZPJMESA-N 1 3 331.504 2.494 50 0 EEAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1cc(C)no1)CC[NH+](C)CC2 ZINC000072475355 216252737 /nfs/dbraw/zinc/25/27/37/216252737.db2.gz CXUPQGACBUYMEM-QGZVFWFLSA-N 1 3 348.491 2.138 50 0 EEAAHO CCCN1CC2(C[C@@H]1C(=O)N1CCn3cccc3C1)CC[NH+](C)CC2 ZINC000072409958 276257160 /nfs/dbraw/zinc/25/71/60/276257160.db2.gz AOHYXCATAYLLDN-GOSISDBHSA-N 1 3 344.503 2.027 50 0 EEAAHO CSCCC[NH+]1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012704798 462863321 /nfs/dbraw/zinc/86/33/21/462863321.db2.gz DOBSPISSVHXDIP-HNNXBMFYSA-N 1 3 339.549 2.195 50 0 EEAAHO CN(C)C[C@]12C[NH2+]C[C@@H]1CN(c1ccnc3cc(Cl)ccc31)C2 ZINC001772704627 1179288994 /nfs/dbraw/zinc/28/89/94/1179288994.db2.gz OGYPAUJDBXDSSY-ACJLOTCBSA-N 1 3 330.863 2.476 50 0 EEAAHO C[C@H](C1CCN(Cc2cccc(OCC(N)=O)c2)CC1)[NH+]1CCCC1 ZINC000072429972 216222760 /nfs/dbraw/zinc/22/27/60/216222760.db2.gz WNHXZJHTDSEACM-MRXNPFEDSA-N 1 3 345.487 2.247 50 0 EEAAHO COc1cccc(CN2C[C@H]3CC[C@@H]2C[N@H+](C)C3)c1OCCN(C)C ZINC000091650762 218039892 /nfs/dbraw/zinc/03/98/92/218039892.db2.gz CVOSAPHNWPMSIT-FUHWJXTLSA-N 1 3 347.503 2.162 50 0 EEAAHO COc1cccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c1OCCN(C)C ZINC000091650762 218039894 /nfs/dbraw/zinc/03/98/94/218039894.db2.gz CVOSAPHNWPMSIT-FUHWJXTLSA-N 1 3 347.503 2.162 50 0 EEAAHO N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC([NH+]2CCCCCC2)CC1 ZINC000299780594 258089450 /nfs/dbraw/zinc/08/94/50/258089450.db2.gz KKHFXNKVOPPJOY-IBGZPJMESA-N 1 3 345.487 2.129 50 0 EEAAHO CN1CCC[C@@H]1CC[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072145318 277060154 /nfs/dbraw/zinc/06/01/54/277060154.db2.gz RLMKSKFMHLRVSP-MRXNPFEDSA-N 1 3 327.472 2.481 50 0 EEAAHO [NH3+]C1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3F)C2)CCCC1 ZINC000067818029 215220333 /nfs/dbraw/zinc/22/03/33/215220333.db2.gz VQBTVNWZYSVOCC-HNNXBMFYSA-N 1 3 333.451 2.425 50 0 EEAAHO C[C@H](C[N@H+]1CCC(=O)N(CCN2CCCC2)CC1)c1ccccc1 ZINC000299755872 258074087 /nfs/dbraw/zinc/07/40/87/258074087.db2.gz DUGGLJPGBBGISZ-GOSISDBHSA-N 1 3 329.488 2.420 50 0 EEAAHO C[C@H](C[N@@H+]1CCC(=O)N(CCN2CCCC2)CC1)c1ccccc1 ZINC000299755872 258074089 /nfs/dbraw/zinc/07/40/89/258074089.db2.gz DUGGLJPGBBGISZ-GOSISDBHSA-N 1 3 329.488 2.420 50 0 EEAAHO CC(C)[NH+]1CCC(CN2CCN(Cc3ccco3)[C@@H](CCO)C2)CC1 ZINC000105984250 463501767 /nfs/dbraw/zinc/50/17/67/463501767.db2.gz XDILVTJSHQXKPC-IBGZPJMESA-N 1 3 349.519 2.269 50 0 EEAAHO [NH3+]C1CCN(C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000063855928 793924493 /nfs/dbraw/zinc/92/44/93/793924493.db2.gz FEHDWVKUZUGFQH-UHFFFAOYSA-N 1 3 325.460 2.264 50 0 EEAAHO COc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004539322 210216031 /nfs/dbraw/zinc/21/60/31/210216031.db2.gz XHIDEXZXYXIKAG-ZRGWGRIASA-N 1 3 336.476 2.275 50 0 EEAAHO COc1ccc(CNCC[C@@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004539322 210216034 /nfs/dbraw/zinc/21/60/34/210216034.db2.gz XHIDEXZXYXIKAG-ZRGWGRIASA-N 1 3 336.476 2.275 50 0 EEAAHO CC1(C)Cc2cccc(C[NH+]3CCC(n4cc(CN)nn4)CC3)c2O1 ZINC000023506454 212381323 /nfs/dbraw/zinc/38/13/23/212381323.db2.gz CENJOKHJDUIDHY-UHFFFAOYSA-N 1 3 341.459 2.287 50 0 EEAAHO CN1CCC(CNC(=O)[C@]2(C)CC[N@H+](C)C2)(c2ccccc2)CC1 ZINC000584886509 468954919 /nfs/dbraw/zinc/95/49/19/468954919.db2.gz ZXJHCRFHBFFJQJ-LJQANCHMSA-N 1 3 329.488 2.108 50 0 EEAAHO CN1CCC(CNC(=O)[C@]2(C)CC[N@@H+](C)C2)(c2ccccc2)CC1 ZINC000584886509 468954922 /nfs/dbraw/zinc/95/49/22/468954922.db2.gz ZXJHCRFHBFFJQJ-LJQANCHMSA-N 1 3 329.488 2.108 50 0 EEAAHO C[NH+](C)[C@@H]1CCN(CC(=O)Nc2ccccc2CN2CCCCC2)C1 ZINC000828075208 800586446 /nfs/dbraw/zinc/58/64/46/800586446.db2.gz WLVLPMLSJSPPIA-GOSISDBHSA-N 1 3 344.503 2.247 50 0 EEAAHO O=C(CN1CCCCCC1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC001529152833 1121343127 /nfs/dbraw/zinc/34/31/27/1121343127.db2.gz YXCMFRUVZRXYTR-UHFFFAOYSA-N 1 3 339.549 2.292 50 0 EEAAHO O=C(CN1CCCCCC1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC001529152833 1121343136 /nfs/dbraw/zinc/34/31/36/1121343136.db2.gz YXCMFRUVZRXYTR-UHFFFAOYSA-N 1 3 339.549 2.292 50 0 EEAAHO CCN1CCC[C@H]1CNC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1 ZINC000065407873 279332141 /nfs/dbraw/zinc/33/21/41/279332141.db2.gz SAWJXRPYUOAIOT-KRWDZBQOSA-N 1 3 345.487 2.097 50 0 EEAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000023338530 681325005 /nfs/dbraw/zinc/32/50/05/681325005.db2.gz ISSJWVPUTJRYEP-KRWDZBQOSA-N 1 3 344.503 2.283 50 0 EEAAHO CN(C)C[C@@]12C[NH2+]C[C@H]1CN(c1ccnc3cc(Cl)ccc31)C2 ZINC001772704632 1179288893 /nfs/dbraw/zinc/28/88/93/1179288893.db2.gz OGYPAUJDBXDSSY-SCLBCKFNSA-N 1 3 330.863 2.476 50 0 EEAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccccc2Cn2cccn2)CC1 ZINC000072134526 216023233 /nfs/dbraw/zinc/02/32/33/216023233.db2.gz HMLQUIJHLWLIQA-HXUWFJFHSA-N 1 3 342.487 2.210 50 0 EEAAHO O=C(NCCN1CCC(c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000299766483 258081254 /nfs/dbraw/zinc/08/12/54/258081254.db2.gz DMEOFQSPGINOPB-LJQANCHMSA-N 1 3 329.488 2.372 50 0 EEAAHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000244899434 464464550 /nfs/dbraw/zinc/46/45/50/464464550.db2.gz ZJYDFOFVDUUEMX-QGZVFWFLSA-N 1 3 330.476 2.303 50 0 EEAAHO Cc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000244899433 464464633 /nfs/dbraw/zinc/46/46/33/464464633.db2.gz ZJYDFOFVDUUEMX-KRWDZBQOSA-N 1 3 330.476 2.303 50 0 EEAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(CN2CCCC[C@H]2C[NH3+])c1 ZINC000215467724 241128437 /nfs/dbraw/zinc/12/84/37/241128437.db2.gz IMKOFFAFDUDTPH-NRFANRHFSA-N 1 3 344.547 2.364 50 0 EEAAHO O=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000299766481 258081750 /nfs/dbraw/zinc/08/17/50/258081750.db2.gz DMEOFQSPGINOPB-IBGZPJMESA-N 1 3 329.488 2.372 50 0 EEAAHO CCCN1CCC([NH2+][C@H]2CC(=O)N(Cc3cccc(F)c3)C2)CC1 ZINC000015065084 462939811 /nfs/dbraw/zinc/93/98/11/462939811.db2.gz HLPGWAKJLFHXIU-SFHVURJKSA-N 1 3 333.451 2.391 50 0 EEAAHO Cc1cccn2c(=O)c(CN3CCC4(C3)CC[NH2+]CC4)c(Cl)nc12 ZINC000067447127 463006737 /nfs/dbraw/zinc/00/67/37/463006737.db2.gz HYYXRWOCDXBMIA-UHFFFAOYSA-N 1 3 346.862 2.232 50 0 EEAAHO CN(C)C[C@@]12C[NH2+]C[C@@H]1CN(c1ccnc3cc(Cl)ccc31)C2 ZINC001772704631 1179288923 /nfs/dbraw/zinc/28/89/23/1179288923.db2.gz OGYPAUJDBXDSSY-FZKQIMNGSA-N 1 3 330.863 2.476 50 0 EEAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cc(CC)no1)CC[NH+](C)CC2 ZINC000072431294 216223301 /nfs/dbraw/zinc/22/33/01/216223301.db2.gz MMJRUESIDULFOU-QGZVFWFLSA-N 1 3 348.491 2.050 50 0 EEAAHO CCC(CC)N1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000096441181 463267236 /nfs/dbraw/zinc/26/72/36/463267236.db2.gz GXBSRBDJAQAGBE-LJQANCHMSA-N 1 3 325.541 2.416 50 0 EEAAHO Cc1ccc2[nH]c3c(c2c1)CN(CC[C@@H]1C[N@@H+](C)CCN1C)CC3 ZINC000043005142 463612865 /nfs/dbraw/zinc/61/28/65/463612865.db2.gz GDLSKDBRHWNBHM-MRXNPFEDSA-N 1 3 326.488 2.470 50 0 EEAAHO Cc1ccc2[nH]c3c(c2c1)CN(CC[C@@H]1C[N@H+](C)CCN1C)CC3 ZINC000043005142 463612869 /nfs/dbraw/zinc/61/28/69/463612869.db2.gz GDLSKDBRHWNBHM-MRXNPFEDSA-N 1 3 326.488 2.470 50 0 EEAAHO CN1CCN(CCCC[NH2+]Cc2c[nH]nc2-c2cccs2)CC1 ZINC000030919241 463317118 /nfs/dbraw/zinc/31/71/18/463317118.db2.gz LTGSLHIWLWHCBG-UHFFFAOYSA-N 1 3 333.505 2.255 50 0 EEAAHO O[C@H]1COC2(C1)CCN(Cc1ccc(C[NH+]3CCCC3)s1)CC2 ZINC000097717413 219050194 /nfs/dbraw/zinc/05/01/94/219050194.db2.gz HJHRIABYHWZOTH-OAHLLOKOSA-N 1 3 336.501 2.460 50 0 EEAAHO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc3ccccc3o1)CC2 ZINC000091725109 218055068 /nfs/dbraw/zinc/05/50/68/218055068.db2.gz GNFARBXBBWVCGF-MSOLQXFVSA-N 1 3 330.428 2.124 50 0 EEAAHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(O)c2)CC1 ZINC000012630932 462860597 /nfs/dbraw/zinc/86/05/97/462860597.db2.gz CHZKESYTDMNXPR-UHFFFAOYSA-N 1 3 347.503 2.308 50 0 EEAAHO CN1CCC[C@@H](C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000108428483 463603199 /nfs/dbraw/zinc/60/31/99/463603199.db2.gz XWTMWCKNASWIFO-KRWDZBQOSA-N 1 3 345.487 2.119 50 0 EEAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000072148861 216036696 /nfs/dbraw/zinc/03/66/96/216036696.db2.gz FJTUNANIESSOJF-LJQANCHMSA-N 1 3 328.460 2.151 50 0 EEAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(CN2CCCC[C@@H]2C[NH3+])c1 ZINC000215467673 241129876 /nfs/dbraw/zinc/12/98/76/241129876.db2.gz IMKOFFAFDUDTPH-OAQYLSRUSA-N 1 3 344.547 2.364 50 0 EEAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000012430235 211378059 /nfs/dbraw/zinc/37/80/59/211378059.db2.gz OCWCPWOYKWTRDZ-IBGZPJMESA-N 1 3 346.519 2.241 50 0 EEAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 ZINC000012430235 211378063 /nfs/dbraw/zinc/37/80/63/211378063.db2.gz OCWCPWOYKWTRDZ-IBGZPJMESA-N 1 3 346.519 2.241 50 0 EEAAHO CO[C@]12CC[N@H+](Cc3cccc(OCCN(C)C)c3)[C@H]1C[C@@H](O)CC2 ZINC000299770238 465885697 /nfs/dbraw/zinc/88/56/97/465885697.db2.gz OHMAQQRZMMSPGQ-YSIASYRMSA-N 1 3 348.487 2.131 50 0 EEAAHO CO[C@]12CC[N@@H+](Cc3cccc(OCCN(C)C)c3)[C@H]1C[C@@H](O)CC2 ZINC000299770238 465885707 /nfs/dbraw/zinc/88/57/07/465885707.db2.gz OHMAQQRZMMSPGQ-YSIASYRMSA-N 1 3 348.487 2.131 50 0 EEAAHO Cc1nc(NCCN2CCc3ccccc3C2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244601837 243045569 /nfs/dbraw/zinc/04/55/69/243045569.db2.gz DSPFZRNHESCAKG-HDICACEKSA-N 1 3 337.471 2.460 50 0 EEAAHO CN1CCCN(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000095527912 463104915 /nfs/dbraw/zinc/10/49/15/463104915.db2.gz REEDUWJQRSJNKM-UHFFFAOYSA-N 1 3 346.475 2.329 50 0 EEAAHO O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN(c2ccncc2)C1 ZINC000033128866 463414071 /nfs/dbraw/zinc/41/40/71/463414071.db2.gz PTUBRQULADFNSG-KRWDZBQOSA-N 1 3 330.476 2.290 50 0 EEAAHO COCC[NH+]1CCC(CN2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000072172849 216063306 /nfs/dbraw/zinc/06/33/06/216063306.db2.gz VCQOCCNPJBMDNN-UHFFFAOYSA-N 1 3 345.531 2.471 50 0 EEAAHO O[C@@H]1COC2(C1)CCN(Cc1ccc(C[NH+]3CCCC3)s1)CC2 ZINC000097717411 219050614 /nfs/dbraw/zinc/05/06/14/219050614.db2.gz HJHRIABYHWZOTH-HNNXBMFYSA-N 1 3 336.501 2.460 50 0 EEAAHO Cc1cc(N2CCC([NH2+]CCCC[C@H]3CCCO3)CC2)nc(N)n1 ZINC000095385258 218317163 /nfs/dbraw/zinc/31/71/63/218317163.db2.gz NMSOLTCWNQIIJZ-INIZCTEOSA-N 1 3 333.480 2.275 50 0 EEAAHO CC[NH+](CC)CCC[C@H](C)NC(=O)N1CCN(c2ccncc2)CC1 ZINC000426549050 241309727 /nfs/dbraw/zinc/30/97/27/241309727.db2.gz DGZGEQDAJCAMRS-KRWDZBQOSA-N 1 3 347.507 2.424 50 0 EEAAHO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CNCCO3)C1 ZINC000299800828 258104353 /nfs/dbraw/zinc/10/43/53/258104353.db2.gz VXFZDJPPPYJXII-KRWDZBQOSA-N 1 3 345.487 2.249 50 0 EEAAHO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CNCCO3)C1 ZINC000299800828 258104354 /nfs/dbraw/zinc/10/43/54/258104354.db2.gz VXFZDJPPPYJXII-KRWDZBQOSA-N 1 3 345.487 2.249 50 0 EEAAHO CCN(Cc1cccc(OCC[NH+]2CCCCC2)c1)[C@H]1COC[C@@H]1O ZINC000216308792 241181448 /nfs/dbraw/zinc/18/14/48/241181448.db2.gz ZOBADHZXCMRTFO-PMACEKPBSA-N 1 3 348.487 2.133 50 0 EEAAHO CO[C@]12CCN(Cc3ccccc3OCC[NH+](C)C)[C@H]1C[C@H](O)CC2 ZINC000299802248 258104807 /nfs/dbraw/zinc/10/48/07/258104807.db2.gz ZLCYSSYLDJEMEH-YZGWKJHDSA-N 1 3 348.487 2.131 50 0 EEAAHO CC1CC[NH+](CCCNC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000054377659 463232426 /nfs/dbraw/zinc/23/24/26/463232426.db2.gz DEWWPFXBOSKZKZ-UHFFFAOYSA-N 1 3 345.491 2.035 50 0 EEAAHO Cc1cccc(C[NH+]2CCC(C(=O)NC3CCN(C)CC3)CC2)c1 ZINC000067629440 215170117 /nfs/dbraw/zinc/17/01/17/215170117.db2.gz WPNDJIYXWZTPMR-UHFFFAOYSA-N 1 3 329.488 2.417 50 0 EEAAHO COc1ccccc1-n1cc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000067867243 215234175 /nfs/dbraw/zinc/23/41/75/215234175.db2.gz ASAHLKDRRRUFHQ-UHFFFAOYSA-N 1 3 326.444 2.456 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)NCc1cc(C)ccn1)CC[NH+](C)CC2 ZINC000072428203 216219661 /nfs/dbraw/zinc/21/96/61/216219661.db2.gz ABJNYKCBYWGHPJ-SFHVURJKSA-N 1 3 344.503 2.203 50 0 EEAAHO Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095370264 218303070 /nfs/dbraw/zinc/30/30/70/218303070.db2.gz QMUBFRLSAIHMAV-INIZCTEOSA-N 1 3 342.443 2.423 50 0 EEAAHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000107515564 463572712 /nfs/dbraw/zinc/57/27/12/463572712.db2.gz LXUMZYVTMPEVCS-MDNKFWRPSA-N 1 3 329.488 2.275 50 0 EEAAHO CN(C)[C@@H](CN1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000020915882 1229634397 /nfs/dbraw/zinc/63/43/97/1229634397.db2.gz ZSNLELNXFYOWTC-UFYCRDLUSA-N 1 3 349.494 2.350 50 0 EEAAHO CN(CCNc1cc(C2CC([NH3+])C2)ncn1)CCc1ccccc1 ZINC000223579423 464143297 /nfs/dbraw/zinc/14/32/97/464143297.db2.gz LYXUPFXMIRTEFC-UHFFFAOYSA-N 1 3 325.460 2.268 50 0 EEAAHO CN1CCC(n2ncc3c2NC(=O)C[C@H]3[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000248119735 464731359 /nfs/dbraw/zinc/73/13/59/464731359.db2.gz JOGFJGYOTOUVEQ-GUTXKFCHSA-N 1 3 331.464 2.093 50 0 EEAAHO [NH3+]C1(C(=O)NC[C@H]2CCCN(Cc3ccccc3F)C2)CCCC1 ZINC000067818027 215219539 /nfs/dbraw/zinc/21/95/39/215219539.db2.gz VQBTVNWZYSVOCC-OAHLLOKOSA-N 1 3 333.451 2.425 50 0 EEAAHO Cc1ccc(CC2(NC(=O)[C@H]3CC4(CN3C)CC[NH2+]CC4)CC2)cc1 ZINC000072473992 216251651 /nfs/dbraw/zinc/25/16/51/216251651.db2.gz FSTVOOOSDJETAA-GOSISDBHSA-N 1 3 341.499 2.260 50 0 EEAAHO Cc1ccc(C)c(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000023373792 212372471 /nfs/dbraw/zinc/37/24/71/212372471.db2.gz DBQKRNRKXKRICF-NRFANRHFSA-N 1 3 345.531 2.266 50 0 EEAAHO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)C1 ZINC000082136708 295335465 /nfs/dbraw/zinc/33/54/65/295335465.db2.gz KHMYMXFNEFHLAZ-MOPGFXCFSA-N 1 3 341.499 2.206 50 0 EEAAHO C[C@H](C1CCN(Cc2cnn(C)c2C2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000077436499 462983493 /nfs/dbraw/zinc/98/34/93/462983493.db2.gz OZUAMBFUXSRFAL-MRXNPFEDSA-N 1 3 345.535 2.145 50 0 EEAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000023338528 681324747 /nfs/dbraw/zinc/32/47/47/681324747.db2.gz ISSJWVPUTJRYEP-QGZVFWFLSA-N 1 3 344.503 2.283 50 0 EEAAHO CC[NH+]1CCC(NC[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000003354072 210016242 /nfs/dbraw/zinc/01/62/42/210016242.db2.gz PDGPWZUBCVIKIT-QGZVFWFLSA-N 1 3 326.868 2.291 50 0 EEAAHO CCN1CCC[C@H]1CSc1nnc(CC[NH3+])n1-c1ccc(F)cc1 ZINC000426667444 241322465 /nfs/dbraw/zinc/32/24/65/241322465.db2.gz KNAWRYBRDYAAEA-HNNXBMFYSA-N 1 3 349.479 2.484 50 0 EEAAHO O=C1CC[N@H+](CCCc2ccccc2)CCN1CCN1CCCC1 ZINC000299793311 465886613 /nfs/dbraw/zinc/88/66/13/465886613.db2.gz IHZXMILFUNBZBP-UHFFFAOYSA-N 1 3 329.488 2.249 50 0 EEAAHO O=C1CC[N@@H+](CCCc2ccccc2)CCN1CCN1CCCC1 ZINC000299793311 465886621 /nfs/dbraw/zinc/88/66/21/465886621.db2.gz IHZXMILFUNBZBP-UHFFFAOYSA-N 1 3 329.488 2.249 50 0 EEAAHO COCC[NH+]1CCC(CN(Cc2cccnc2)C[C@H]2CCCO2)CC1 ZINC000011821533 798577488 /nfs/dbraw/zinc/57/74/88/798577488.db2.gz OETWLOCQMGSJDK-HXUWFJFHSA-N 1 3 347.503 2.421 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072458296 203228244 /nfs/dbraw/zinc/22/82/44/203228244.db2.gz KBOOPBTUWHEUHT-KRWDZBQOSA-N 1 3 333.476 2.401 50 0 EEAAHO O=C(CC1=CC[NH2+]CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000067673774 463035028 /nfs/dbraw/zinc/03/50/28/463035028.db2.gz LAZXAQRLANRYGV-MRXNPFEDSA-N 1 3 333.501 2.386 50 0 EEAAHO C=Cc1cccc(CN2CC[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000067871932 463061011 /nfs/dbraw/zinc/06/10/11/463061011.db2.gz WRORRNQJCMGTPD-SFHVURJKSA-N 1 3 327.472 2.267 50 0 EEAAHO Cc1cc(N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc(C)[nH+]1 ZINC000095354290 463068791 /nfs/dbraw/zinc/06/87/91/463068791.db2.gz FBQNDJITAZBMJJ-UHFFFAOYSA-N 1 3 344.503 2.469 50 0 EEAAHO C[C@H](C[NH+](C)C)N1CCC(n2cc(CN3CCCCCC3)nn2)CC1 ZINC000063856823 462678307 /nfs/dbraw/zinc/67/83/07/462678307.db2.gz ZXPWCWHIXPBMIL-QGZVFWFLSA-N 1 3 348.539 2.241 50 0 EEAAHO C[C@H](CN(C)C)[NH+]1CCC(n2cc(CN3CCCCCC3)nn2)CC1 ZINC000063856823 462678311 /nfs/dbraw/zinc/67/83/11/462678311.db2.gz ZXPWCWHIXPBMIL-QGZVFWFLSA-N 1 3 348.539 2.241 50 0 EEAAHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000106779203 463535760 /nfs/dbraw/zinc/53/57/60/463535760.db2.gz HVUPOJOCNCOXOH-ZWKOTPCHSA-N 1 3 345.487 2.326 50 0 EEAAHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000106779203 463535762 /nfs/dbraw/zinc/53/57/62/463535762.db2.gz HVUPOJOCNCOXOH-ZWKOTPCHSA-N 1 3 345.487 2.326 50 0 EEAAHO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2ccncc2)C1 ZINC000033128865 202251068 /nfs/dbraw/zinc/25/10/68/202251068.db2.gz PTUBRQULADFNSG-QGZVFWFLSA-N 1 3 330.476 2.290 50 0 EEAAHO NC1(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)CC1 ZINC000091603103 462892249 /nfs/dbraw/zinc/89/22/49/462892249.db2.gz RDZOHXVUAQSPNS-ZWKOTPCHSA-N 1 3 327.472 2.033 50 0 EEAAHO NC1(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)CC1 ZINC000091603103 462892254 /nfs/dbraw/zinc/89/22/54/462892254.db2.gz RDZOHXVUAQSPNS-ZWKOTPCHSA-N 1 3 327.472 2.033 50 0 EEAAHO CN(C)[C@H](CN1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1 ZINC000020915889 1229634328 /nfs/dbraw/zinc/63/43/28/1229634328.db2.gz ZSNLELNXFYOWTC-ZCNNSNEGSA-N 1 3 349.494 2.350 50 0 EEAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072135322 203166640 /nfs/dbraw/zinc/16/66/40/203166640.db2.gz QXOHHKUSOMCMIQ-SFHVURJKSA-N 1 3 330.432 2.015 50 0 EEAAHO CN1CC2(C[C@H]1C(=O)NCCc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000072430673 203222590 /nfs/dbraw/zinc/22/25/90/203222590.db2.gz RVNARMHPSRUABH-INIZCTEOSA-N 1 3 335.879 2.073 50 0 EEAAHO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000055226958 289150415 /nfs/dbraw/zinc/15/04/15/289150415.db2.gz CGISQABFXMVQQK-KRWDZBQOSA-N 1 3 331.485 2.208 50 0 EEAAHO Cc1cc(C)c2[nH]c(CN[C@@H]3COC4(C3)CC[NH2+]CC4)cc(=O)c2c1 ZINC000095391356 463073693 /nfs/dbraw/zinc/07/36/93/463073693.db2.gz LDJQPGRBAZSXHT-INIZCTEOSA-N 1 3 341.455 2.146 50 0 EEAAHO c1ccc2c(c1)C[C@@H](CN1CCN(CC[NH+]3CCCC3)CC1)CCO2 ZINC000095521115 463102440 /nfs/dbraw/zinc/10/24/40/463102440.db2.gz JHPIVFXXGHKFDW-IBGZPJMESA-N 1 3 343.515 2.341 50 0 EEAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2cnc(-c3ccco3)nc2)CC1 ZINC000072135323 203166388 /nfs/dbraw/zinc/16/63/88/203166388.db2.gz QXOHHKUSOMCMIQ-GOSISDBHSA-N 1 3 330.432 2.015 50 0 EEAAHO Cc1ccc([C@@H]2CN(C(=O)C(C)(C)[NH3+])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072428439 203223373 /nfs/dbraw/zinc/22/33/73/203223373.db2.gz ZLINYZHHECWGSM-RCCFBDPRSA-N 1 3 327.472 2.121 50 0 EEAAHO Cc1ccc2[nH]c3c(c2c1)CN(CC[C@H]1C[N@@H+](C)CCN1C)CC3 ZINC000019228590 202001630 /nfs/dbraw/zinc/00/16/30/202001630.db2.gz GDLSKDBRHWNBHM-INIZCTEOSA-N 1 3 326.488 2.470 50 0 EEAAHO Cc1ccc2[nH]c3c(c2c1)CN(CC[C@H]1C[N@H+](C)CCN1C)CC3 ZINC000019228590 202001632 /nfs/dbraw/zinc/00/16/32/202001632.db2.gz GDLSKDBRHWNBHM-INIZCTEOSA-N 1 3 326.488 2.470 50 0 EEAAHO Cc1cc(N2CCN(C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cc[nH+]1 ZINC000230145262 242240374 /nfs/dbraw/zinc/24/03/74/242240374.db2.gz KZHNKBXUPHMNNT-HXUWFJFHSA-N 1 3 342.487 2.303 50 0 EEAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3cc4ccccc4o3)CC[C@H]21 ZINC000072463372 203229751 /nfs/dbraw/zinc/22/97/51/203229751.db2.gz GZJCCXQGABTRTF-DOTOQJQBSA-N 1 3 327.428 2.204 50 0 EEAAHO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1cc[nH+]cc1)C2 ZINC000077487561 285326476 /nfs/dbraw/zinc/32/64/76/285326476.db2.gz CGGXHHHJTVBPTP-RLLQIKCJSA-N 1 3 345.487 2.425 50 0 EEAAHO [NH3+]CCc1cccc(CN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)c1 ZINC000095392214 463073243 /nfs/dbraw/zinc/07/32/43/463073243.db2.gz YPBWDJJDZPVXPH-TZIWHRDSSA-N 1 3 343.515 2.263 50 0 EEAAHO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(N)CCC3)C2)c(C)c1 ZINC000067983217 463076397 /nfs/dbraw/zinc/07/63/97/463076397.db2.gz JLVSRAIZUHJGGQ-INIZCTEOSA-N 1 3 345.487 2.213 50 0 EEAAHO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C3(N)CCC3)C2)c(C)c1 ZINC000067983217 463076404 /nfs/dbraw/zinc/07/64/04/463076404.db2.gz JLVSRAIZUHJGGQ-INIZCTEOSA-N 1 3 345.487 2.213 50 0 EEAAHO Cc1c[nH+]ccc1NCCn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072435135 203223904 /nfs/dbraw/zinc/22/39/04/203223904.db2.gz JKAUWPBPIVXZTC-UHFFFAOYSA-N 1 3 337.431 2.055 50 0 EEAAHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000106839304 278311217 /nfs/dbraw/zinc/31/12/17/278311217.db2.gz HPJYOGXRMXEUTN-ZHALLVOQSA-N 1 3 344.503 2.415 50 0 EEAAHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000106839304 278311218 /nfs/dbraw/zinc/31/12/18/278311218.db2.gz HPJYOGXRMXEUTN-ZHALLVOQSA-N 1 3 344.503 2.415 50 0 EEAAHO CN(C)CCOC(=O)CCCCCCCCC(=O)OCC[NH+](C)C ZINC000004729916 462637196 /nfs/dbraw/zinc/63/71/96/462637196.db2.gz KNXLZXZQJJQVMS-UHFFFAOYSA-N 1 3 344.496 2.317 50 0 EEAAHO COc1ccc(CNCC[C@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004539327 210216926 /nfs/dbraw/zinc/21/69/26/210216926.db2.gz XHIDEXZXYXIKAG-VCBZYWHSSA-N 1 3 336.476 2.275 50 0 EEAAHO COc1ccc(CNCC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004539327 210216928 /nfs/dbraw/zinc/21/69/28/210216928.db2.gz XHIDEXZXYXIKAG-VCBZYWHSSA-N 1 3 336.476 2.275 50 0 EEAAHO CN(C)C[C@]12C[NH2+]C[C@H]1CN(c1ccnc3cc(Cl)ccc31)C2 ZINC001772704633 1179289190 /nfs/dbraw/zinc/28/91/90/1179289190.db2.gz OGYPAUJDBXDSSY-UGSOOPFHSA-N 1 3 330.863 2.476 50 0 EEAAHO Cc1cccc(-c2ncc(CN3CCC4(CC3)C[NH2+]CCO4)cn2)c1 ZINC000825224765 800320827 /nfs/dbraw/zinc/32/08/27/800320827.db2.gz HEAJARWVMUKXQK-UHFFFAOYSA-N 1 3 338.455 2.406 50 0 EEAAHO Cn1c(CC2CC[NH2+]CC2)nnc1SCCN1CCCCCC1 ZINC000055568679 214330935 /nfs/dbraw/zinc/33/09/35/214330935.db2.gz MUVKTXRRSTZOKG-UHFFFAOYSA-N 1 3 337.537 2.325 50 0 EEAAHO C[C@H](C1CCN(Cc2ccc(N(C)C)nc2)CC1)[NH+]1CCOCC1 ZINC000072417924 216205786 /nfs/dbraw/zinc/20/57/86/216205786.db2.gz BUOXKDCGOXPDKD-MRXNPFEDSA-N 1 3 332.492 2.080 50 0 EEAAHO CCCc1ccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)o1 ZINC000072436363 216231095 /nfs/dbraw/zinc/23/10/95/216231095.db2.gz IKHZZVHOIZQBCY-MAUKXSAKSA-N 1 3 333.476 2.264 50 0 EEAAHO COc1cccc(CN2CCC[C@@H](O)CC2)c1OCCC[NH+](C)C ZINC000216299365 241181254 /nfs/dbraw/zinc/18/12/54/241181254.db2.gz CLBAZOCFYKRYGS-QGZVFWFLSA-N 1 3 336.476 2.373 50 0 EEAAHO Cc1cc(N2CCCN(CCC(=O)Nc3cccnc3)CC2)cc[nH+]1 ZINC000244715845 243062806 /nfs/dbraw/zinc/06/28/06/243062806.db2.gz LDOVPBOQAJIURJ-UHFFFAOYSA-N 1 3 339.443 2.326 50 0 EEAAHO CCN1CCCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000426689886 535483833 /nfs/dbraw/zinc/48/38/33/535483833.db2.gz PRLFENMAQBKKTH-QGZVFWFLSA-N 1 3 345.491 2.096 50 0 EEAAHO CCC[C@H](CNc1nc(-c2ccncc2)nc2c1CCNC2)[NH+](C)C ZINC000067867456 215234738 /nfs/dbraw/zinc/23/47/38/215234738.db2.gz HNZFDBBSPMYJFE-OAHLLOKOSA-N 1 3 340.475 2.327 50 0 EEAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000072166032 216055597 /nfs/dbraw/zinc/05/55/97/216055597.db2.gz OQEMSJUPXVRKPF-LJQANCHMSA-N 1 3 346.450 2.494 50 0 EEAAHO CCCCN(Cc1ccncc1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072421100 216209520 /nfs/dbraw/zinc/20/95/20/216209520.db2.gz TYYFTBZHMCBAPI-GOSISDBHSA-N 1 3 344.503 2.284 50 0 EEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(C/C=C/c3ccccc3)CC[C@H]21 ZINC000072421797 216210625 /nfs/dbraw/zinc/21/06/25/216210625.db2.gz LQORDOOPFMSYPT-GYOZQUQXSA-N 1 3 327.472 2.232 50 0 EEAAHO Cc1ccccc1CCN1CCC[C@H](C[N@H+](C)CCn2cnnc2)C1 ZINC000095529530 463106006 /nfs/dbraw/zinc/10/60/06/463106006.db2.gz CFKLYILLCABKBV-LJQANCHMSA-N 1 3 341.503 2.473 50 0 EEAAHO Cc1ccccc1CCN1CCC[C@H](C[N@@H+](C)CCn2cnnc2)C1 ZINC000095529530 463106012 /nfs/dbraw/zinc/10/60/12/463106012.db2.gz CFKLYILLCABKBV-LJQANCHMSA-N 1 3 341.503 2.473 50 0 EEAAHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]2(CN)C1 ZINC000601012349 468718729 /nfs/dbraw/zinc/71/87/29/468718729.db2.gz BARXDJJIPJZAFU-LPHOPBHVSA-N 1 3 331.460 2.314 50 0 EEAAHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(CN)C1 ZINC000601012349 468718733 /nfs/dbraw/zinc/71/87/33/468718733.db2.gz BARXDJJIPJZAFU-LPHOPBHVSA-N 1 3 331.460 2.314 50 0 EEAAHO CN1CCC2(CC1)c1ccccc1[C@@H]([N@H+](C)C1CCOCC1)[C@@H]2O ZINC000020294105 1229506885 /nfs/dbraw/zinc/50/68/85/1229506885.db2.gz WFJXAGGXBODMAD-MOPGFXCFSA-N 1 3 330.472 2.176 50 0 EEAAHO CN1CCC2(CC1)c1ccccc1[C@@H]([N@@H+](C)C1CCOCC1)[C@@H]2O ZINC000020294105 1229506886 /nfs/dbraw/zinc/50/68/86/1229506886.db2.gz WFJXAGGXBODMAD-MOPGFXCFSA-N 1 3 330.472 2.176 50 0 EEAAHO Cc1cc(C)n(C[C@@H](C)[NH+]2CCC(n3cc(C(C)(C)N)nn3)CC2)n1 ZINC000020820380 212173109 /nfs/dbraw/zinc/17/31/09/212173109.db2.gz WNEGEFZUVBIBSA-OAHLLOKOSA-N 1 3 345.495 2.011 50 0 EEAAHO Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cc1C ZINC000092099047 218119475 /nfs/dbraw/zinc/11/94/75/218119475.db2.gz CHVSHRGTAPICCO-NHCUHLMSSA-N 1 3 346.515 2.048 50 0 EEAAHO Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cc1C ZINC000092099047 218119478 /nfs/dbraw/zinc/11/94/78/218119478.db2.gz CHVSHRGTAPICCO-NHCUHLMSSA-N 1 3 346.515 2.048 50 0 EEAAHO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N(C)C3)cc1OCCC[NH3+] ZINC000426537907 241306878 /nfs/dbraw/zinc/30/68/78/241306878.db2.gz ZSKZZWMMVZKDGR-WMZOPIPTSA-N 1 3 345.487 2.279 50 0 EEAAHO NC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082145614 463518743 /nfs/dbraw/zinc/51/87/43/463518743.db2.gz QQUIMXAJCSLILX-UHFFFAOYSA-N 1 3 329.488 2.281 50 0 EEAAHO c1ccc(-c2nc3c(c(N4CC[N@@H+]5CCC[C@H]5C4)n2)CCNC3)cc1 ZINC000230147074 464202543 /nfs/dbraw/zinc/20/25/43/464202543.db2.gz UVYCJIJZVLMBNB-INIZCTEOSA-N 1 3 335.455 2.074 50 0 EEAAHO c1ccc(-c2nc3c(c(N4CC[N@H+]5CCC[C@H]5C4)n2)CCNC3)cc1 ZINC000230147074 464202548 /nfs/dbraw/zinc/20/25/48/464202548.db2.gz UVYCJIJZVLMBNB-INIZCTEOSA-N 1 3 335.455 2.074 50 0 EEAAHO CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000095527408 463105579 /nfs/dbraw/zinc/10/55/79/463105579.db2.gz KGPJGFHYZGWFFP-QGZVFWFLSA-N 1 3 335.467 2.448 50 0 EEAAHO CN(CCN1CCCC1)C(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000584895674 468958915 /nfs/dbraw/zinc/95/89/15/468958915.db2.gz ZLMOEJMPCFXIDQ-SFHVURJKSA-N 1 3 332.492 2.417 50 0 EEAAHO CC[NH+]1CCN(CCOc2ccccc2CN2CCSCC2)CC1 ZINC000215655455 241138321 /nfs/dbraw/zinc/13/83/21/241138321.db2.gz LDLVSFVHFCJVIN-UHFFFAOYSA-N 1 3 349.544 2.252 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)N1CCn3cccc3C1)CC[NH+](C)CC2 ZINC000072409959 463509104 /nfs/dbraw/zinc/50/91/04/463509104.db2.gz AOHYXCATAYLLDN-SFHVURJKSA-N 1 3 344.503 2.027 50 0 EEAAHO CC[C@H](C(=O)NC1CC[NH+](C2CCSCC2)CC1)N(C)CC ZINC000952975880 796119957 /nfs/dbraw/zinc/11/99/57/796119957.db2.gz LQONOHXJWFJNQJ-MRXNPFEDSA-N 1 3 327.538 2.193 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072410504 216201984 /nfs/dbraw/zinc/20/19/84/216201984.db2.gz STGSBQIWABCMIY-SFHVURJKSA-N 1 3 347.503 2.443 50 0 EEAAHO CCN1CCC[C@@H]1CSc1nnc(CC[NH3+])n1-c1ccc(F)cc1 ZINC000426667446 241322634 /nfs/dbraw/zinc/32/26/34/241322634.db2.gz KNAWRYBRDYAAEA-OAHLLOKOSA-N 1 3 349.479 2.484 50 0 EEAAHO CCC[NH+]1CCC(Cc2noc(-c3n[nH]c4c3CN(C)CC4)n2)CC1 ZINC000067758880 215205821 /nfs/dbraw/zinc/20/58/21/215205821.db2.gz TXNRBOFLIJGAAY-UHFFFAOYSA-N 1 3 344.463 2.112 50 0 EEAAHO Cc1ccc(CN2CC[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)c(C)c1F ZINC000067919739 215250455 /nfs/dbraw/zinc/25/04/55/215250455.db2.gz RCLKHMQQDVKDDK-INIZCTEOSA-N 1 3 347.478 2.380 50 0 EEAAHO CN1CCC[C@H]1CC[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072145319 277078025 /nfs/dbraw/zinc/07/80/25/277078025.db2.gz RLMKSKFMHLRVSP-INIZCTEOSA-N 1 3 327.472 2.481 50 0 EEAAHO O=C1CC[C@@]2(CCC[N@@H+](C3CCNCC3)C2)CN1Cc1ccncc1 ZINC000072469721 280258556 /nfs/dbraw/zinc/25/85/56/280258556.db2.gz FCIDVOJHZRKUCM-HXUWFJFHSA-N 1 3 342.487 2.038 50 0 EEAAHO O=C1CC[C@@]2(CCC[N@H+](C3CCNCC3)C2)CN1Cc1ccncc1 ZINC000072469721 280258557 /nfs/dbraw/zinc/25/85/57/280258557.db2.gz FCIDVOJHZRKUCM-HXUWFJFHSA-N 1 3 342.487 2.038 50 0 EEAAHO CN(CCN1CCCC1)C(=O)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000584895673 468958649 /nfs/dbraw/zinc/95/86/49/468958649.db2.gz ZLMOEJMPCFXIDQ-GOSISDBHSA-N 1 3 332.492 2.417 50 0 EEAAHO CCC(CC)N1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000023373481 282185399 /nfs/dbraw/zinc/18/53/99/282185399.db2.gz GXBSRBDJAQAGBE-IBGZPJMESA-N 1 3 325.541 2.416 50 0 EEAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1ccc(C)o1)CC[NH+](C)CC2 ZINC000072410503 216203057 /nfs/dbraw/zinc/20/30/57/216203057.db2.gz STGSBQIWABCMIY-GOSISDBHSA-N 1 3 347.503 2.443 50 0 EEAAHO Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)c2cc3c(cc2n1)OCO3 ZINC000072468874 280553509 /nfs/dbraw/zinc/55/35/09/280553509.db2.gz SPXXQJJHVVNPDA-LJQANCHMSA-N 1 3 343.427 2.165 50 0 EEAAHO c1cnn(CCCN2CCOC3(CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000952977278 796122165 /nfs/dbraw/zinc/12/21/65/796122165.db2.gz PUWCFYUQDUUIEP-UHFFFAOYSA-N 1 3 341.459 2.040 50 0 EEAAHO Cc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](CN(C)CCN(C)C)C2)c(C)c1 ZINC000091585651 218024711 /nfs/dbraw/zinc/02/47/11/218024711.db2.gz WVLGTQZNSCAVGJ-WOJBJXKFSA-N 1 3 347.547 2.146 50 0 EEAAHO Cc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](CN(C)CCN(C)C)C2)c(C)c1 ZINC000091585651 218024712 /nfs/dbraw/zinc/02/47/12/218024712.db2.gz WVLGTQZNSCAVGJ-WOJBJXKFSA-N 1 3 347.547 2.146 50 0 EEAAHO COCCC[NH+]1CCC2(CCN(Cc3ccco3)C[C@@H]2CO)CC1 ZINC000097307505 219011089 /nfs/dbraw/zinc/01/10/89/219011089.db2.gz MEVQOTIQVXVEMO-QGZVFWFLSA-N 1 3 336.476 2.213 50 0 EEAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000072166031 216055395 /nfs/dbraw/zinc/05/53/95/216055395.db2.gz OQEMSJUPXVRKPF-IBGZPJMESA-N 1 3 346.450 2.494 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1ccco1)CC[NH+](C)CC2 ZINC000072419638 216207731 /nfs/dbraw/zinc/20/77/31/216207731.db2.gz OSIIWGVFNYBFMH-KRWDZBQOSA-N 1 3 333.476 2.135 50 0 EEAAHO COc1cc(C)c(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc1C ZINC000091624871 218033366 /nfs/dbraw/zinc/03/33/66/218033366.db2.gz FVYGWYCEEWEOCQ-MOPGFXCFSA-N 1 3 348.487 2.003 50 0 EEAAHO Cc1cc(N2CCC([NH2+]CCCC[C@@H]3CCCO3)CC2)nc(N)n1 ZINC000095385257 218316777 /nfs/dbraw/zinc/31/67/77/218316777.db2.gz NMSOLTCWNQIIJZ-MRXNPFEDSA-N 1 3 333.480 2.275 50 0 EEAAHO c1ccc2c(c1)C[C@H](CN1CCN(CC[NH+]3CCCC3)CC1)CCO2 ZINC000095521114 463102512 /nfs/dbraw/zinc/10/25/12/463102512.db2.gz JHPIVFXXGHKFDW-LJQANCHMSA-N 1 3 343.515 2.341 50 0 EEAAHO CCCc1cc(C[NH2+]C2CCN(c3cc(C)nc(N)n3)CC2)on1 ZINC000095391317 218323075 /nfs/dbraw/zinc/32/30/75/218323075.db2.gz ZRRMAPCAQQQXLV-UHFFFAOYSA-N 1 3 330.436 2.066 50 0 EEAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000011814191 211249532 /nfs/dbraw/zinc/24/95/32/211249532.db2.gz PCMRHNWEXYBHJQ-HNNXBMFYSA-N 1 3 338.883 2.223 50 0 EEAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000011814191 211249535 /nfs/dbraw/zinc/24/95/35/211249535.db2.gz PCMRHNWEXYBHJQ-HNNXBMFYSA-N 1 3 338.883 2.223 50 0 EEAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000072148860 216036297 /nfs/dbraw/zinc/03/62/97/216036297.db2.gz FJTUNANIESSOJF-IBGZPJMESA-N 1 3 328.460 2.151 50 0 EEAAHO CN(C)C[C@@H](O)COc1ccc(C[N@H+](C)C2CCSCC2)cc1 ZINC000095509208 463099625 /nfs/dbraw/zinc/09/96/25/463099625.db2.gz NEVHKWUMHQOZNK-QGZVFWFLSA-N 1 3 338.517 2.315 50 0 EEAAHO CN(C)C[C@@H](O)COc1ccc(C[N@@H+](C)C2CCSCC2)cc1 ZINC000095509208 463099627 /nfs/dbraw/zinc/09/96/27/463099627.db2.gz NEVHKWUMHQOZNK-QGZVFWFLSA-N 1 3 338.517 2.315 50 0 EEAAHO COc1cc(CN2CCC[C@H]([NH3+])C2)ccc1OCCN1CCCCC1 ZINC000216140660 536757454 /nfs/dbraw/zinc/75/74/54/536757454.db2.gz ITNGEKHDYPSSAC-SFHVURJKSA-N 1 3 347.503 2.483 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)NCc1c(C)noc1C)CC[NH+](C)CC2 ZINC000072427848 216219733 /nfs/dbraw/zinc/21/97/33/216219733.db2.gz CHEIQOAJGIIORA-KRWDZBQOSA-N 1 3 348.491 2.104 50 0 EEAAHO CCCN1CCC([NH2+]Cc2cc3c(=O)n(CC)cc-3[nH]c2OC)CC1 ZINC000071749174 463420464 /nfs/dbraw/zinc/42/04/64/463420464.db2.gz HTKLEMOPJBQYQB-UHFFFAOYSA-N 1 3 346.475 2.030 50 0 EEAAHO C[NH+]1CCC(C(=O)NCCN2CCC[C@H](c3ccccc3)C2)CC1 ZINC000097515077 219032856 /nfs/dbraw/zinc/03/28/56/219032856.db2.gz WIFATAHWKLOWQZ-IBGZPJMESA-N 1 3 329.488 2.324 50 0 EEAAHO CSCC[C@H](N)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000952965184 796085730 /nfs/dbraw/zinc/08/57/30/796085730.db2.gz SLFITUINUVQGPJ-INIZCTEOSA-N 1 3 337.489 2.179 50 0 EEAAHO CC(C)[NH+]1CCC(N2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000023366690 212370041 /nfs/dbraw/zinc/37/00/41/212370041.db2.gz ZMDUSRZILKEUEF-UHFFFAOYSA-N 1 3 344.503 2.283 50 0 EEAAHO NC(=O)C1CC[NH+](CCCCNCc2ccc(F)c(F)c2)CC1 ZINC000030911319 463317250 /nfs/dbraw/zinc/31/72/50/463317250.db2.gz GQLJWLSRHJRJNN-UHFFFAOYSA-N 1 3 325.403 2.032 50 0 EEAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000014968128 462936937 /nfs/dbraw/zinc/93/69/37/462936937.db2.gz KBNZNEUBYCVOGB-LJQANCHMSA-N 1 3 331.504 2.494 50 0 EEAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000014968128 462936941 /nfs/dbraw/zinc/93/69/41/462936941.db2.gz 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Oc1cccc([C@@H]2C[N@H+](C3CCNCC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095383719 218316240 /nfs/dbraw/zinc/31/62/40/218316240.db2.gz OCOKWGBFUGUDJE-XUVXKRRUSA-N 1 3 327.472 2.006 50 0 EEAAHO CCCN1CCC([NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000020205915 202035988 /nfs/dbraw/zinc/03/59/88/202035988.db2.gz QUYDLZBBLBCSOO-IBGZPJMESA-N 1 3 347.478 2.433 50 0 EEAAHO CCCCN(Cc1cccnc1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072462571 203228632 /nfs/dbraw/zinc/22/86/32/203228632.db2.gz TZVOTRVVFUYJQK-GOSISDBHSA-N 1 3 344.503 2.284 50 0 EEAAHO CN1CCC(Oc2ccc(NC(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000299787307 258093651 /nfs/dbraw/zinc/09/36/51/258093651.db2.gz SPLVQEMRIRIBNK-HNNXBMFYSA-N 1 3 332.448 2.033 50 0 EEAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1ccco1)CC[NH+](C)CC2 ZINC000072419637 203219327 /nfs/dbraw/zinc/21/93/27/203219327.db2.gz OSIIWGVFNYBFMH-QGZVFWFLSA-N 1 3 333.476 2.135 50 0 EEAAHO COc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489380 462854175 /nfs/dbraw/zinc/85/41/75/462854175.db2.gz XHIDEXZXYXIKAG-KHYOSLBOSA-N 1 3 336.476 2.275 50 0 EEAAHO COc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489380 462854179 /nfs/dbraw/zinc/85/41/79/462854179.db2.gz XHIDEXZXYXIKAG-KHYOSLBOSA-N 1 3 336.476 2.275 50 0 EEAAHO CC[N@H+](CCO)C[C@@H]1CN(Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091602872 462891647 /nfs/dbraw/zinc/89/16/47/462891647.db2.gz DUOHFUGWFPGREW-WOJBJXKFSA-N 1 3 342.483 2.194 50 0 EEAAHO CC[N@@H+](CCO)C[C@@H]1CN(Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091602872 462891653 /nfs/dbraw/zinc/89/16/53/462891653.db2.gz DUOHFUGWFPGREW-WOJBJXKFSA-N 1 3 342.483 2.194 50 0 EEAAHO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@]2(CN)C1 ZINC000601012351 468718630 /nfs/dbraw/zinc/71/86/30/468718630.db2.gz BARXDJJIPJZAFU-VQIMIIECSA-N 1 3 331.460 2.314 50 0 EEAAHO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@]2(CN)C1 ZINC000601012351 468718634 /nfs/dbraw/zinc/71/86/34/468718634.db2.gz BARXDJJIPJZAFU-VQIMIIECSA-N 1 3 331.460 2.314 50 0 EEAAHO Cc1ccc(C)c(OC[C@@H](O)CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c1C ZINC000585136874 468987760 /nfs/dbraw/zinc/98/77/60/468987760.db2.gz WQWKWLGBENXBOE-QYZOEREBSA-N 1 3 332.488 2.235 50 0 EEAAHO Cc1ccc(C)c(OC[C@@H](O)CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1C ZINC000585136874 468987765 /nfs/dbraw/zinc/98/77/65/468987765.db2.gz WQWKWLGBENXBOE-QYZOEREBSA-N 1 3 332.488 2.235 50 0 EEAAHO Cc1sc2nc(CC[NH3+])nc(N[C@H]3CN4CCC3CC4)c2c1C ZINC000065423297 803059499 /nfs/dbraw/zinc/05/94/99/803059499.db2.gz QIZGNKPCGGXERK-ZDUSSCGKSA-N 1 3 331.489 2.315 50 0 EEAAHO CCN1CCCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000426689885 241327664 /nfs/dbraw/zinc/32/76/64/241327664.db2.gz PRLFENMAQBKKTH-KRWDZBQOSA-N 1 3 345.491 2.096 50 0 EEAAHO O[C@]1(CN2CCC(COc3ccc4c(c3)CCC4)CC2)CCC[NH2+]C1 ZINC000072481091 285376395 /nfs/dbraw/zinc/37/63/95/285376395.db2.gz HNCSRCXDJPRNJV-OAQYLSRUSA-N 1 3 344.499 2.381 50 0 EEAAHO O[C@]1(C[NH+]2CCC(COc3ccc4c(c3)CCC4)CC2)CCCNC1 ZINC000072481091 285376398 /nfs/dbraw/zinc/37/63/98/285376398.db2.gz HNCSRCXDJPRNJV-OAQYLSRUSA-N 1 3 344.499 2.381 50 0 EEAAHO Cc1ccc(C)c(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000039542523 463451172 /nfs/dbraw/zinc/45/11/72/463451172.db2.gz DBQKRNRKXKRICF-OAQYLSRUSA-N 1 3 345.531 2.266 50 0 EEAAHO COc1cc(CN2CCC[C@@H]([NH3+])C2)ccc1OCCN1CCCCC1 ZINC000216140709 536753098 /nfs/dbraw/zinc/75/30/98/536753098.db2.gz ITNGEKHDYPSSAC-GOSISDBHSA-N 1 3 347.503 2.483 50 0 EEAAHO C[C@@H](C1CCN(Cc2ccc(N(C)C)nc2)CC1)[NH+]1CCOCC1 ZINC000072417923 203218843 /nfs/dbraw/zinc/21/88/43/203218843.db2.gz BUOXKDCGOXPDKD-INIZCTEOSA-N 1 3 332.492 2.080 50 0 EEAAHO Cc1cc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)cc(C)[nH+]1 ZINC000072435176 203223789 /nfs/dbraw/zinc/22/37/89/203223789.db2.gz GPPBXPLJCUDCII-FQEVSTJZSA-N 1 3 344.503 2.469 50 0 EEAAHO CCCCN(Cc1cccnc1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072462570 203228650 /nfs/dbraw/zinc/22/86/50/203228650.db2.gz TZVOTRVVFUYJQK-SFHVURJKSA-N 1 3 344.503 2.284 50 0 EEAAHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)CC1 ZINC000015065085 462939923 /nfs/dbraw/zinc/93/99/23/462939923.db2.gz HLPGWAKJLFHXIU-GOSISDBHSA-N 1 3 333.451 2.391 50 0 EEAAHO CCC[NH+]1CCC(CC(=O)NCc2c(C)ncc3c2CCNC3)CC1 ZINC000077456165 203389829 /nfs/dbraw/zinc/38/98/29/203389829.db2.gz YELMNOIJNHOBIN-UHFFFAOYSA-N 1 3 344.503 2.164 50 0 EEAAHO COCCN(C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc3occc3c2)C1 ZINC000091817836 462908917 /nfs/dbraw/zinc/90/89/17/462908917.db2.gz UMTQJSMBMJAHDW-MSOLQXFVSA-N 1 3 346.471 2.441 50 0 EEAAHO COCCN(C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc3occc3c2)C1 ZINC000091817836 462908922 /nfs/dbraw/zinc/90/89/22/462908922.db2.gz UMTQJSMBMJAHDW-MSOLQXFVSA-N 1 3 346.471 2.441 50 0 EEAAHO CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000219049601 464109962 /nfs/dbraw/zinc/10/99/62/464109962.db2.gz NTYFTHDVRRLPFE-PLACYPQZSA-N 1 3 343.515 2.001 50 0 EEAAHO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)N[C@H]1CCN(C)C1 ZINC000584895659 468958895 /nfs/dbraw/zinc/95/88/95/468958895.db2.gz IEDHVSFWIZTRMP-SFHVURJKSA-N 1 3 330.476 2.128 50 0 EEAAHO C[NH+](C)CCOc1cccc(CN2CCC3(CC2)OCCC[C@@H]3O)c1 ZINC000215872522 282110545 /nfs/dbraw/zinc/11/05/45/282110545.db2.gz QJSVJUXYIFJRFB-IBGZPJMESA-N 1 3 348.487 2.133 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1cccnc1)CC[NH+](C)CC2 ZINC000072407995 203215643 /nfs/dbraw/zinc/21/56/43/203215643.db2.gz XWYPOLFBSRSGGA-SFHVURJKSA-N 1 3 344.503 2.236 50 0 EEAAHO Cc1cc(C)c(CN2CCOC3(CC[NH2+]CC3)C2)c(-n2cccn2)c1 ZINC000825124464 800315019 /nfs/dbraw/zinc/31/50/19/800315019.db2.gz FEVHXTNMGXCXQQ-UHFFFAOYSA-N 1 3 340.471 2.444 50 0 EEAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2cc(-c3ccccn3)no2)CC1 ZINC000072128836 216019389 /nfs/dbraw/zinc/01/93/89/216019389.db2.gz FWCOGZBAHOCPKS-SFHVURJKSA-N 1 3 330.432 2.015 50 0 EEAAHO C=Cc1cccc(CN2CC[C@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000067871930 215236513 /nfs/dbraw/zinc/23/65/13/215236513.db2.gz WRORRNQJCMGTPD-GOSISDBHSA-N 1 3 327.472 2.267 50 0 EEAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(N)=O)CC2)C1 ZINC000091551052 218021858 /nfs/dbraw/zinc/02/18/58/218021858.db2.gz FKGKOSROZVZLOW-SFHVURJKSA-N 1 3 329.488 2.453 50 0 EEAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(N)=O)CC2)C1 ZINC000091551052 218021860 /nfs/dbraw/zinc/02/18/60/218021860.db2.gz FKGKOSROZVZLOW-SFHVURJKSA-N 1 3 329.488 2.453 50 0 EEAAHO Cc1sc2nc(CC[NH3+])nc(N[C@@H]3CN4CCC3CC4)c2c1C ZINC000065423295 803058819 /nfs/dbraw/zinc/05/88/19/803058819.db2.gz QIZGNKPCGGXERK-CYBMUJFWSA-N 1 3 331.489 2.315 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccccc1)CC[NH+](C)CC2 ZINC000072430607 216223785 /nfs/dbraw/zinc/22/37/85/216223785.db2.gz PJIOIIVUVCNCLW-SFHVURJKSA-N 1 3 329.488 2.499 50 0 EEAAHO Cc1cc(C)c2[nH]c(CN[C@H]3COC4(C3)CC[NH2+]CC4)cc(=O)c2c1 ZINC000095391355 218322514 /nfs/dbraw/zinc/32/25/14/218322514.db2.gz LDJQPGRBAZSXHT-MRXNPFEDSA-N 1 3 341.455 2.146 50 0 EEAAHO Cc1cc(N2CCCN(C(=O)[C@@H](N)C3CCCCC3)CC2)cc[nH+]1 ZINC000091452502 218008598 /nfs/dbraw/zinc/00/85/98/218008598.db2.gz 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ZINC000426477487 241295103 /nfs/dbraw/zinc/29/51/03/241295103.db2.gz ATYYADOJBUNFOP-HGKCTWBKSA-N 1 3 325.460 2.112 50 0 EEAAHO CCCCNCC(=O)Nc1ccc(NC(=O)C[NH2+]CCCC)cc1 ZINC000004894613 210314098 /nfs/dbraw/zinc/31/40/98/210314098.db2.gz YDDQHBPHUSUIJS-UHFFFAOYSA-N 1 3 334.464 2.343 50 0 EEAAHO CC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCCCC2)c1 ZINC000095508657 463099107 /nfs/dbraw/zinc/09/91/07/463099107.db2.gz KFPYJFJXQOLASJ-KRWDZBQOSA-N 1 3 336.476 2.373 50 0 EEAAHO CC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCCCC2)c1 ZINC000095508657 463099113 /nfs/dbraw/zinc/09/91/13/463099113.db2.gz KFPYJFJXQOLASJ-KRWDZBQOSA-N 1 3 336.476 2.373 50 0 EEAAHO Cc1ccccc1CCN1CCC[C@@H](C[N@H+](C)CCn2cnnc2)C1 ZINC000095529531 463105906 /nfs/dbraw/zinc/10/59/06/463105906.db2.gz CFKLYILLCABKBV-IBGZPJMESA-N 1 3 341.503 2.473 50 0 EEAAHO Cc1ccccc1CCN1CCC[C@@H](C[N@@H+](C)CCn2cnnc2)C1 ZINC000095529531 463105910 /nfs/dbraw/zinc/10/59/10/463105910.db2.gz CFKLYILLCABKBV-IBGZPJMESA-N 1 3 341.503 2.473 50 0 EEAAHO CC(C)[NH+]1CCC(CN2CCN(Cc3ccco3)[C@H](CCO)C2)CC1 ZINC000055280896 214300448 /nfs/dbraw/zinc/30/04/48/214300448.db2.gz XDILVTJSHQXKPC-LJQANCHMSA-N 1 3 349.519 2.269 50 0 EEAAHO O=C(CC1=CC[NH2+]CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000067673776 215179528 /nfs/dbraw/zinc/17/95/28/215179528.db2.gz LAZXAQRLANRYGV-INIZCTEOSA-N 1 3 333.501 2.386 50 0 EEAAHO Cc1cc(N2CCC([NH2+]CCSc3ccccn3)CC2)nc(N)n1 ZINC000095371350 218304023 /nfs/dbraw/zinc/30/40/23/218304023.db2.gz ASAIAKXCKJWOBC-UHFFFAOYSA-N 1 3 344.488 2.113 50 0 EEAAHO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CNCCO3)C1 ZINC000299800833 258104242 /nfs/dbraw/zinc/10/42/42/258104242.db2.gz VXFZDJPPPYJXII-QGZVFWFLSA-N 1 3 345.487 2.249 50 0 EEAAHO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CNCCO3)C1 ZINC000299800833 258104243 /nfs/dbraw/zinc/10/42/43/258104243.db2.gz VXFZDJPPPYJXII-QGZVFWFLSA-N 1 3 345.487 2.249 50 0 EEAAHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000122242243 463249068 /nfs/dbraw/zinc/24/90/68/463249068.db2.gz RBHONRKADJECRF-UHFFFAOYSA-N 1 3 331.464 2.070 50 0 EEAAHO Cc1ccc(CN2CC[C@H](CNC(=O)C3CC[NH2+]CC3)C2)c(C)c1F ZINC000067919737 215249544 /nfs/dbraw/zinc/24/95/44/215249544.db2.gz RCLKHMQQDVKDDK-MRXNPFEDSA-N 1 3 347.478 2.380 50 0 EEAAHO CCOc1cccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)c1 ZINC000072476808 216254750 /nfs/dbraw/zinc/25/47/50/216254750.db2.gz CVTZTPMOURZULJ-PKOBYXMFSA-N 1 3 345.487 2.118 50 0 EEAAHO [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)C1CCN(Cc2ccco2)CC1 ZINC000095359374 218292741 /nfs/dbraw/zinc/29/27/41/218292741.db2.gz YLRSAKHGXZKGBL-OALUTQOASA-N 1 3 339.439 2.233 50 0 EEAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccccc1)CC[NH+](C)CC2 ZINC000072430606 216223722 /nfs/dbraw/zinc/22/37/22/216223722.db2.gz PJIOIIVUVCNCLW-GOSISDBHSA-N 1 3 329.488 2.499 50 0 EEAAHO O[C@]12CCNC[C@H]1C[N@@H+](C1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC000091551386 218021906 /nfs/dbraw/zinc/02/19/06/218021906.db2.gz GFLVOZZUZNUPJJ-KXBFYZLASA-N 1 3 349.906 2.355 50 0 EEAAHO O[C@]12CCNC[C@H]1C[N@H+](C1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC000091551386 218021908 /nfs/dbraw/zinc/02/19/08/218021908.db2.gz GFLVOZZUZNUPJJ-KXBFYZLASA-N 1 3 349.906 2.355 50 0 EEAAHO O[C@]12CC[NH2+]C[C@H]1CN(C1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC000091551386 218021911 /nfs/dbraw/zinc/02/19/11/218021911.db2.gz GFLVOZZUZNUPJJ-KXBFYZLASA-N 1 3 349.906 2.355 50 0 EEAAHO C[NH+]1CCC(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000067604073 215167915 /nfs/dbraw/zinc/16/79/15/215167915.db2.gz PWQHCMOIJRHPGP-UHFFFAOYSA-N 1 3 333.451 2.248 50 0 EEAAHO COCC[N@H+](C)C[C@@H]1CN(c2cc(C)nc3ccccc32)C[C@@H]1CO ZINC000092038304 218108388 /nfs/dbraw/zinc/10/83/88/218108388.db2.gz CAYCMYQENZQTNZ-IAGOWNOFSA-N 1 3 343.471 2.166 50 0 EEAAHO COCC[N@@H+](C)C[C@@H]1CN(c2cc(C)nc3ccccc32)C[C@@H]1CO ZINC000092038304 218108391 /nfs/dbraw/zinc/10/83/91/218108391.db2.gz CAYCMYQENZQTNZ-IAGOWNOFSA-N 1 3 343.471 2.166 50 0 EEAAHO CN1CCC(CNC(=O)[C@@]2(C)CC[N@H+](C)C2)(c2ccccc2)CC1 ZINC000584886508 468954987 /nfs/dbraw/zinc/95/49/87/468954987.db2.gz ZXJHCRFHBFFJQJ-IBGZPJMESA-N 1 3 329.488 2.108 50 0 EEAAHO CN1CCC(CNC(=O)[C@@]2(C)CC[N@@H+](C)C2)(c2ccccc2)CC1 ZINC000584886508 468954994 /nfs/dbraw/zinc/95/49/94/468954994.db2.gz ZXJHCRFHBFFJQJ-IBGZPJMESA-N 1 3 329.488 2.108 50 0 EEAAHO COc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004539323 210215956 /nfs/dbraw/zinc/21/59/56/210215956.db2.gz XHIDEXZXYXIKAG-CLCXKQKWSA-N 1 3 336.476 2.275 50 0 EEAAHO COc1ccc(CNCC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004539323 210215959 /nfs/dbraw/zinc/21/59/59/210215959.db2.gz XHIDEXZXYXIKAG-CLCXKQKWSA-N 1 3 336.476 2.275 50 0 EEAAHO O[C@@]1(CN2CCC(COc3ccc4c(c3)CCC4)CC2)CCC[NH2+]C1 ZINC000072481090 285344824 /nfs/dbraw/zinc/34/48/24/285344824.db2.gz HNCSRCXDJPRNJV-NRFANRHFSA-N 1 3 344.499 2.381 50 0 EEAAHO O[C@@]1(C[NH+]2CCC(COc3ccc4c(c3)CCC4)CC2)CCCNC1 ZINC000072481090 285344826 /nfs/dbraw/zinc/34/48/26/285344826.db2.gz HNCSRCXDJPRNJV-NRFANRHFSA-N 1 3 344.499 2.381 50 0 EEAAHO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)N[C@@H]1CCN(C)C1 ZINC000584895658 468958937 /nfs/dbraw/zinc/95/89/37/468958937.db2.gz IEDHVSFWIZTRMP-GOSISDBHSA-N 1 3 330.476 2.128 50 0 EEAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1cc(C)ccn1)CC[NH+](C)CC2 ZINC000072428202 216219492 /nfs/dbraw/zinc/21/94/92/216219492.db2.gz ABJNYKCBYWGHPJ-GOSISDBHSA-N 1 3 344.503 2.203 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)NCc1cc(CC)no1)CC[NH+](C)CC2 ZINC000072431295 216223483 /nfs/dbraw/zinc/22/34/83/216223483.db2.gz MMJRUESIDULFOU-KRWDZBQOSA-N 1 3 348.491 2.050 50 0 EEAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(N)=O)CC2)C1 ZINC000091551050 218021803 /nfs/dbraw/zinc/02/18/03/218021803.db2.gz FKGKOSROZVZLOW-GOSISDBHSA-N 1 3 329.488 2.453 50 0 EEAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(N)=O)CC2)C1 ZINC000091551050 218021804 /nfs/dbraw/zinc/02/18/04/218021804.db2.gz FKGKOSROZVZLOW-GOSISDBHSA-N 1 3 329.488 2.453 50 0 EEAAHO C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000091746203 462903149 /nfs/dbraw/zinc/90/31/49/462903149.db2.gz FAKPFZYAJVFOAP-RBUKOAKNSA-N 1 3 329.488 2.451 50 0 EEAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NCc3ccncc3)C2)CC1 ZINC000071682155 463419284 /nfs/dbraw/zinc/41/92/84/463419284.db2.gz SOLSRODEZDNXRC-SFHVURJKSA-N 1 3 344.503 2.283 50 0 EEAAHO C[NH2+]C(C)(C)C(=O)NC[C@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000067983013 215266367 /nfs/dbraw/zinc/26/63/67/215266367.db2.gz OIEBWJZZEPIYFV-CQSZACIVSA-N 1 3 329.444 2.369 50 0 EEAAHO CN1C[C@]2(C)CN(c3cc(C4CC[NH2+]CC4)ncn3)C[C@](C)(C1)C2 ZINC000067973968 463075235 /nfs/dbraw/zinc/07/52/35/463075235.db2.gz DXZKCWKBYOQYFM-KDURUIRLSA-N 1 3 329.492 2.112 50 0 EEAAHO CC(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000095527409 463105360 /nfs/dbraw/zinc/10/53/60/463105360.db2.gz KGPJGFHYZGWFFP-KRWDZBQOSA-N 1 3 335.467 2.448 50 0 EEAAHO CC(C)C[NH+]1CCC(N[C@@H]2CCOC[C@H]2OCc2ccccn2)CC1 ZINC000223167657 464137210 /nfs/dbraw/zinc/13/72/10/464137210.db2.gz RKZCULRYRLPTFB-WOJBJXKFSA-N 1 3 347.503 2.466 50 0 EEAAHO Cc1ccc(C)c(CCNC(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072409335 216201368 /nfs/dbraw/zinc/20/13/68/216201368.db2.gz FOKNAYUIKGURQO-SFHVURJKSA-N 1 3 329.488 2.036 50 0 EEAAHO CC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CCCCC2)c1 ZINC000095508656 463099407 /nfs/dbraw/zinc/09/94/07/463099407.db2.gz KFPYJFJXQOLASJ-QGZVFWFLSA-N 1 3 336.476 2.373 50 0 EEAAHO CC[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CCCCC2)c1 ZINC000095508656 463099412 /nfs/dbraw/zinc/09/94/12/463099412.db2.gz KFPYJFJXQOLASJ-QGZVFWFLSA-N 1 3 336.476 2.373 50 0 EEAAHO Cc1cc(-n2cccn2)ccc1CN1CCOC2(CC[NH2+]CC2)C1 ZINC000825145650 800316485 /nfs/dbraw/zinc/31/64/85/800316485.db2.gz MHQUOOFVBXYQTD-UHFFFAOYSA-N 1 3 326.444 2.135 50 0 EEAAHO Cc1cc(N2CCCN(Cc3ccc(OCCO)cc3)CC2)cc[nH+]1 ZINC000072164800 216053851 /nfs/dbraw/zinc/05/38/51/216053851.db2.gz IXAXEFNCSOVJSD-UHFFFAOYSA-N 1 3 341.455 2.473 50 0 EEAAHO CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072427965 216218964 /nfs/dbraw/zinc/21/89/64/216218964.db2.gz SBPUGODDJRPSAB-SFHVURJKSA-N 1 3 345.487 2.118 50 0 EEAAHO CN(C)Cc1csc(CN2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000072434207 216229452 /nfs/dbraw/zinc/22/94/52/216229452.db2.gz IOKVJCRHBFROOZ-QGZVFWFLSA-N 1 3 337.533 2.231 50 0 EEAAHO CN(C)Cc1csc(CN2CCC([N@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000072434207 216229455 /nfs/dbraw/zinc/22/94/55/216229455.db2.gz IOKVJCRHBFROOZ-QGZVFWFLSA-N 1 3 337.533 2.231 50 0 EEAAHO C[NH+]1CCC(C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000097515078 219032464 /nfs/dbraw/zinc/03/24/64/219032464.db2.gz WIFATAHWKLOWQZ-LJQANCHMSA-N 1 3 329.488 2.324 50 0 EEAAHO CN1CCC[C@H](C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000108428481 463603803 /nfs/dbraw/zinc/60/38/03/463603803.db2.gz XWTMWCKNASWIFO-QGZVFWFLSA-N 1 3 345.487 2.119 50 0 EEAAHO Cc1cncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000122156231 222025734 /nfs/dbraw/zinc/02/57/34/222025734.db2.gz RICMNFNNKZZURP-UHFFFAOYSA-N 1 3 331.464 2.070 50 0 EEAAHO Cc1ccccc1C[NH+]1CCC(C(=O)NC2CCN(C)CC2)CC1 ZINC000071754847 463421810 /nfs/dbraw/zinc/42/18/10/463421810.db2.gz BMJSJXHUHOYMLH-UHFFFAOYSA-N 1 3 329.488 2.417 50 0 EEAAHO CC[NH+]1CCC(NC[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000003354070 210016445 /nfs/dbraw/zinc/01/64/45/210016445.db2.gz PDGPWZUBCVIKIT-KRWDZBQOSA-N 1 3 326.868 2.291 50 0 EEAAHO C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCN(Cc2cc3ccccc3o2)C1 ZINC000067983012 215267569 /nfs/dbraw/zinc/26/75/69/215267569.db2.gz OIEBWJZZEPIYFV-AWEZNQCLSA-N 1 3 329.444 2.369 50 0 EEAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CNC)CC2)C1 ZINC000091694322 218049593 /nfs/dbraw/zinc/04/95/93/218049593.db2.gz UKHQQJWGZZZGJN-GOSISDBHSA-N 1 3 329.488 2.324 50 0 EEAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CNC)CC2)C1 ZINC000091694322 218049595 /nfs/dbraw/zinc/04/95/95/218049595.db2.gz UKHQQJWGZZZGJN-GOSISDBHSA-N 1 3 329.488 2.324 50 0 EEAAHO Fc1ccc([C@@H]2C[N@@H+](C3CCNCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370842 218304146 /nfs/dbraw/zinc/30/41/46/218304146.db2.gz PHTJMGJEMSLQDQ-XUVXKRRUSA-N 1 3 329.463 2.440 50 0 EEAAHO Fc1ccc([C@@H]2C[N@H+](C3CCNCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370842 218304149 /nfs/dbraw/zinc/30/41/49/218304149.db2.gz PHTJMGJEMSLQDQ-XUVXKRRUSA-N 1 3 329.463 2.440 50 0 EEAAHO Cc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)c2cc3c(cc2n1)OCO3 ZINC000072468872 463510600 /nfs/dbraw/zinc/51/06/00/463510600.db2.gz SPXXQJJHVVNPDA-IBGZPJMESA-N 1 3 343.427 2.165 50 0 EEAAHO Cc1ccc(C)c(CCNC(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072409336 216201611 /nfs/dbraw/zinc/20/16/11/216201611.db2.gz FOKNAYUIKGURQO-GOSISDBHSA-N 1 3 329.488 2.036 50 0 EEAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1c(C)noc1C)CC[NH+](C)CC2 ZINC000072427847 216218526 /nfs/dbraw/zinc/21/85/26/216218526.db2.gz CHEIQOAJGIIORA-QGZVFWFLSA-N 1 3 348.491 2.104 50 0 EEAAHO CN(C)Cc1csc(CN2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000072434206 216228979 /nfs/dbraw/zinc/22/89/79/216228979.db2.gz IOKVJCRHBFROOZ-KRWDZBQOSA-N 1 3 337.533 2.231 50 0 EEAAHO CN(C)Cc1csc(CN2CCC([N@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000072434206 216228981 /nfs/dbraw/zinc/22/89/81/216228981.db2.gz IOKVJCRHBFROOZ-KRWDZBQOSA-N 1 3 337.533 2.231 50 0 EEAAHO Cc1ccc(NC(=O)CC[NH2+]C[C@]2(O)CCCN3CCCC[C@@H]32)cc1 ZINC000063883328 462680263 /nfs/dbraw/zinc/68/02/63/462680263.db2.gz HUHYBEKRPQOPGM-UYAOXDASSA-N 1 3 345.487 2.293 50 0 EEAAHO c1cncc(CN2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)c1 ZINC000299793245 685349095 /nfs/dbraw/zinc/34/90/95/685349095.db2.gz HNZQTZKILNRRAU-VQTJNVASSA-N 1 3 328.504 2.464 50 0 EEAAHO COCC[NH+]1CCC(CN(Cc2cccnc2)C[C@@H]2CCCO2)CC1 ZINC000011821532 211252783 /nfs/dbraw/zinc/25/27/83/211252783.db2.gz OETWLOCQMGSJDK-FQEVSTJZSA-N 1 3 347.503 2.421 50 0 EEAAHO CC(C)(N)C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091793808 218067955 /nfs/dbraw/zinc/06/79/55/218067955.db2.gz SIUXFBLTFNDDLP-ZWKOTPCHSA-N 1 3 329.488 2.279 50 0 EEAAHO CC(C)(N)C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091793808 218067958 /nfs/dbraw/zinc/06/79/58/218067958.db2.gz SIUXFBLTFNDDLP-ZWKOTPCHSA-N 1 3 329.488 2.279 50 0 EEAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccncc1C)CC[NH+](C)CC2 ZINC000072412391 216205218 /nfs/dbraw/zinc/20/52/18/216205218.db2.gz XBPDSJGTXAKLTQ-SFHVURJKSA-N 1 3 344.503 2.203 50 0 EEAAHO OC1(C[NH+]2CCCC2)CCN(C[C@]2(c3ccccc3)CCOC2)CC1 ZINC000215768778 285235840 /nfs/dbraw/zinc/23/58/40/285235840.db2.gz ADTCDDVPBYUEGG-HXUWFJFHSA-N 1 3 344.499 2.267 50 0 EEAAHO Cc1ccc2[nH]c(C[N@H+](C)CC3CCN(CCO)CC3)cc(=O)c2c1 ZINC000092028007 462921271 /nfs/dbraw/zinc/92/12/71/462921271.db2.gz JWDOXULRTUHHRF-UHFFFAOYSA-N 1 3 343.471 2.385 50 0 EEAAHO Cc1ccc2[nH]c(C[N@@H+](C)CC3CCN(CCO)CC3)cc(=O)c2c1 ZINC000092028007 462921275 /nfs/dbraw/zinc/92/12/75/462921275.db2.gz JWDOXULRTUHHRF-UHFFFAOYSA-N 1 3 343.471 2.385 50 0 EEAAHO COCCC[NH+]1CCC2(CCN(Cc3ccco3)C[C@H]2CO)CC1 ZINC000097307508 219011028 /nfs/dbraw/zinc/01/10/28/219011028.db2.gz MEVQOTIQVXVEMO-KRWDZBQOSA-N 1 3 336.476 2.213 50 0 EEAAHO