smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCCCC1 ZINC000159537192 239030491 /nfs/dbraw/zinc/03/04/91/239030491.db2.gz IAIVRMLBEOPIRF-KRWDZBQOSA-N 2 1 333.451 2.568 20 70 EFIDMP [NH3+]C1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCCCC1 ZINC000159537192 239030495 /nfs/dbraw/zinc/03/04/95/239030495.db2.gz IAIVRMLBEOPIRF-KRWDZBQOSA-N 2 1 333.451 2.568 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000159858148 206266322 /nfs/dbraw/zinc/26/63/22/206266322.db2.gz RGZDBRHMEXNACI-KRWDZBQOSA-N 2 1 346.519 2.853 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000159938522 206271308 /nfs/dbraw/zinc/27/13/08/206271308.db2.gz ODSNYJAXUFDDOI-SFHVURJKSA-N 2 1 346.519 2.634 20 70 EFIDMP CC[NH+]1CCCN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000159938522 206271311 /nfs/dbraw/zinc/27/13/11/206271311.db2.gz ODSNYJAXUFDDOI-SFHVURJKSA-N 2 1 346.519 2.634 20 70 EFIDMP CC[NH+]1CCCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000159938522 206271314 /nfs/dbraw/zinc/27/13/14/206271314.db2.gz ODSNYJAXUFDDOI-SFHVURJKSA-N 2 1 346.519 2.634 20 70 EFIDMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC000160740617 206310887 /nfs/dbraw/zinc/31/08/87/206310887.db2.gz NJPXRBFGTLSSHA-JKSUJKDBSA-N 2 1 336.476 2.591 20 70 EFIDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160573786 206304872 /nfs/dbraw/zinc/30/48/72/206304872.db2.gz JFKZIRZPUUDLOE-LLVKDONJSA-N 2 1 340.349 2.510 20 70 EFIDMP CCC(CC)(C[NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161293394 473224899 /nfs/dbraw/zinc/22/48/99/473224899.db2.gz VUAQEGPBOWIUJK-SFHVURJKSA-N 2 1 331.504 2.732 20 70 EFIDMP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160105899 473088470 /nfs/dbraw/zinc/08/84/70/473088470.db2.gz ZANGVGFOEHHIDJ-ZDUSSCGKSA-N 2 1 330.259 2.991 20 70 EFIDMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160105899 473088473 /nfs/dbraw/zinc/08/84/73/473088473.db2.gz ZANGVGFOEHHIDJ-ZDUSSCGKSA-N 2 1 330.259 2.991 20 70 EFIDMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000160267868 473101876 /nfs/dbraw/zinc/10/18/76/473101876.db2.gz XJPDQGIFPXCRIA-KBPBESRZSA-N 2 1 343.313 2.888 20 70 EFIDMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@@H]21 ZINC000160287576 473105575 /nfs/dbraw/zinc/10/55/75/473105575.db2.gz GWNNWWKWLFVKMD-MSOLQXFVSA-N 2 1 335.536 2.687 20 70 EFIDMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@@H]21 ZINC000160287576 473105584 /nfs/dbraw/zinc/10/55/84/473105584.db2.gz GWNNWWKWLFVKMD-MSOLQXFVSA-N 2 1 335.536 2.687 20 70 EFIDMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@@H]21 ZINC000160287576 473105587 /nfs/dbraw/zinc/10/55/87/473105587.db2.gz GWNNWWKWLFVKMD-MSOLQXFVSA-N 2 1 335.536 2.687 20 70 EFIDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)[C@H]1CCOC1 ZINC000160326386 473108754 /nfs/dbraw/zinc/10/87/54/473108754.db2.gz AAQJAYYLYMGCEQ-LEWJYISDSA-N 2 1 345.531 2.729 20 70 EFIDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)[C@H]1CCOC1 ZINC000160358435 473112711 /nfs/dbraw/zinc/11/27/11/473112711.db2.gz UHERDZGALWAINW-LEWJYISDSA-N 2 1 345.531 2.729 20 70 EFIDMP O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160782482 473174911 /nfs/dbraw/zinc/17/49/11/473174911.db2.gz XCYLEARHQFXHEG-KRWDZBQOSA-N 2 1 336.524 2.615 20 70 EFIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000160918870 473190728 /nfs/dbraw/zinc/19/07/28/473190728.db2.gz XZFFMHRAKAIZMX-GOSISDBHSA-N 2 1 338.540 2.669 20 70 EFIDMP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160067650 529871036 /nfs/dbraw/zinc/87/10/36/529871036.db2.gz GMEAYMKXMFOBLZ-AWEZNQCLSA-N 2 1 330.259 2.991 20 70 EFIDMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160067650 529871038 /nfs/dbraw/zinc/87/10/38/529871038.db2.gz GMEAYMKXMFOBLZ-AWEZNQCLSA-N 2 1 330.259 2.991 20 70 EFIDMP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000161110288 473207115 /nfs/dbraw/zinc/20/71/15/473207115.db2.gz NDHKCDRASFCGSH-FQEVSTJZSA-N 2 1 343.515 2.889 20 70 EFIDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161121648 473209401 /nfs/dbraw/zinc/20/94/01/473209401.db2.gz DCXJTQPGNVODNN-KHYOSLBOSA-N 2 1 337.458 2.859 20 70 EFIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161121648 473209404 /nfs/dbraw/zinc/20/94/04/473209404.db2.gz DCXJTQPGNVODNN-KHYOSLBOSA-N 2 1 337.458 2.859 20 70 EFIDMP CCc1nn(C)c(CC)c1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161187156 473215701 /nfs/dbraw/zinc/21/57/01/473215701.db2.gz UDKQNWOGTCYLKI-IYBDPMFKSA-N 2 1 336.524 2.524 20 70 EFIDMP CCOCCC[N@H+]1CC[C@@H](NC[C@@H]2CCCC[NH+]2CC)[C@@H](C)C1 ZINC000161173962 473214291 /nfs/dbraw/zinc/21/42/91/473214291.db2.gz DDIHRWALZRDKFW-GBESFXJTSA-N 2 1 325.541 2.587 20 70 EFIDMP CCOCCC[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@@H+]2CC)[C@@H](C)C1 ZINC000161173962 473214293 /nfs/dbraw/zinc/21/42/93/473214293.db2.gz DDIHRWALZRDKFW-GBESFXJTSA-N 2 1 325.541 2.587 20 70 EFIDMP CCOCCC[NH+]1CC[C@@H](NC[C@@H]2CCCC[N@H+]2CC)[C@@H](C)C1 ZINC000161173962 473214297 /nfs/dbraw/zinc/21/42/97/473214297.db2.gz DDIHRWALZRDKFW-GBESFXJTSA-N 2 1 325.541 2.587 20 70 EFIDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCN2CC)[C@@H](C)C1 ZINC000161173962 473214300 /nfs/dbraw/zinc/21/43/00/473214300.db2.gz DDIHRWALZRDKFW-GBESFXJTSA-N 2 1 325.541 2.587 20 70 EFIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCN2CC)[C@@H](C)C1 ZINC000161173962 473214304 /nfs/dbraw/zinc/21/43/04/473214304.db2.gz DDIHRWALZRDKFW-GBESFXJTSA-N 2 1 325.541 2.587 20 70 EFIDMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000161195606 473216439 /nfs/dbraw/zinc/21/64/39/473216439.db2.gz KCEYQWDOPKKCCD-VYDXJSESSA-N 2 1 336.476 2.854 20 70 EFIDMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000161195606 473216442 /nfs/dbraw/zinc/21/64/42/473216442.db2.gz KCEYQWDOPKKCCD-VYDXJSESSA-N 2 1 336.476 2.854 20 70 EFIDMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000161377995 473231358 /nfs/dbraw/zinc/23/13/58/473231358.db2.gz HHONYROKJBWDEW-WWDZGPRUSA-N 2 1 349.544 2.997 20 70 EFIDMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000161377995 473231360 /nfs/dbraw/zinc/23/13/60/473231360.db2.gz HHONYROKJBWDEW-WWDZGPRUSA-N 2 1 349.544 2.997 20 70 EFIDMP CCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160092236 473087420 /nfs/dbraw/zinc/08/74/20/473087420.db2.gz LASVLKIFONDSNM-CALCHBBNSA-N 2 1 342.487 2.802 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160276300 473104245 /nfs/dbraw/zinc/10/42/45/473104245.db2.gz PAVBXVINEDASGB-FXAWDEMLSA-N 2 1 333.520 2.837 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000160276300 473104250 /nfs/dbraw/zinc/10/42/50/473104250.db2.gz PAVBXVINEDASGB-FXAWDEMLSA-N 2 1 333.520 2.837 20 70 EFIDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC(N)=O)CC1 ZINC000159800680 529999486 /nfs/dbraw/zinc/99/94/86/529999486.db2.gz CXOKMZYZGROAAS-UHFFFAOYSA-N 2 1 331.504 2.732 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000159523661 285210606 /nfs/dbraw/zinc/21/06/06/285210606.db2.gz IWPMPJOGUXTMOC-QGZVFWFLSA-N 2 1 348.491 2.544 20 70 EFIDMP Cc1[nH+]ccn1-c1cncc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160222931 225364966 /nfs/dbraw/zinc/36/49/66/225364966.db2.gz BMFOIQVCIPQHTL-YJBOKZPZSA-N 2 1 348.454 2.903 20 70 EFIDMP Cc1[nH+]ccn1-c1cncc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160222931 225364970 /nfs/dbraw/zinc/36/49/70/225364970.db2.gz BMFOIQVCIPQHTL-YJBOKZPZSA-N 2 1 348.454 2.903 20 70 EFIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161074672 290049627 /nfs/dbraw/zinc/04/96/27/290049627.db2.gz ZOIYAVSORCFYHC-QEJZJMRPSA-N 2 1 342.480 2.753 20 70 EFIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cncs1 ZINC000161174331 473213985 /nfs/dbraw/zinc/21/39/85/473213985.db2.gz XWADMIRVMTWWQI-AWEZNQCLSA-N 2 1 331.485 2.951 20 70 EFIDMP CC[C@@H](CNC(=O)C(CC)(CC)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000161269006 473221479 /nfs/dbraw/zinc/22/14/79/473221479.db2.gz CMRCNCHZNRXQBU-SFHVURJKSA-N 2 1 331.504 2.705 20 70 EFIDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159901914 473071871 /nfs/dbraw/zinc/07/18/71/473071871.db2.gz VMFYKSRNKDADQY-GOSISDBHSA-N 2 1 337.552 2.935 20 70 EFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159990318 473078874 /nfs/dbraw/zinc/07/88/74/473078874.db2.gz TXYFQSJIZVCKSH-IIAWOOMASA-N 2 1 335.458 2.969 20 70 EFIDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)[C@@H]1CCOC1 ZINC000160326086 473108595 /nfs/dbraw/zinc/10/85/95/473108595.db2.gz AAQJAYYLYMGCEQ-RTWAWAEBSA-N 2 1 345.531 2.729 20 70 EFIDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)[C@H]1CCOC1 ZINC000160358303 473113244 /nfs/dbraw/zinc/11/32/44/473113244.db2.gz UHERDZGALWAINW-SFTDATJTSA-N 2 1 345.531 2.729 20 70 EFIDMP Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC000160444768 473126082 /nfs/dbraw/zinc/12/60/82/473126082.db2.gz BZGWIVDVWCRSRR-SUMWQHHRSA-N 2 1 336.443 2.746 20 70 EFIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000160738086 473168732 /nfs/dbraw/zinc/16/87/32/473168732.db2.gz DYQAXPFUTWKMBO-DOTOQJQBSA-N 2 1 337.483 2.779 20 70 EFIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000160835153 473180648 /nfs/dbraw/zinc/18/06/48/473180648.db2.gz CDVRGUTZBMOHED-MJGOQNOKSA-N 2 1 348.535 2.663 20 70 EFIDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160931771 473192464 /nfs/dbraw/zinc/19/24/64/473192464.db2.gz RAVZFKPQKYHERV-UHFFFAOYSA-N 2 1 334.508 2.798 20 70 EFIDMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160931771 473192467 /nfs/dbraw/zinc/19/24/67/473192467.db2.gz RAVZFKPQKYHERV-UHFFFAOYSA-N 2 1 334.508 2.798 20 70 EFIDMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000216915107 519677429 /nfs/dbraw/zinc/67/74/29/519677429.db2.gz WBPWRSYUACWOOE-ZWKOTPCHSA-N 2 1 338.540 2.671 20 70 EFIDMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000216915107 519677430 /nfs/dbraw/zinc/67/74/30/519677430.db2.gz WBPWRSYUACWOOE-ZWKOTPCHSA-N 2 1 338.540 2.671 20 70 EFIDMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000216915107 519677432 /nfs/dbraw/zinc/67/74/32/519677432.db2.gz WBPWRSYUACWOOE-ZWKOTPCHSA-N 2 1 338.540 2.671 20 70 EFIDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000216907569 524215824 /nfs/dbraw/zinc/21/58/24/524215824.db2.gz PHPNHBFJQYAIGR-MRXNPFEDSA-N 2 1 338.540 2.671 20 70 EFIDMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000216907569 524215832 /nfs/dbraw/zinc/21/58/32/524215832.db2.gz PHPNHBFJQYAIGR-MRXNPFEDSA-N 2 1 338.540 2.671 20 70 EFIDMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000216907569 524215837 /nfs/dbraw/zinc/21/58/37/524215837.db2.gz PHPNHBFJQYAIGR-MRXNPFEDSA-N 2 1 338.540 2.671 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000160284277 528155250 /nfs/dbraw/zinc/15/52/50/528155250.db2.gz RCQUQBMUQPMERT-IEBWSBKVSA-N 2 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000160284277 528155254 /nfs/dbraw/zinc/15/52/54/528155254.db2.gz RCQUQBMUQPMERT-IEBWSBKVSA-N 2 1 333.520 2.980 20 70 EFIDMP CCC(CC)[C@H](CNC(=O)N1CCC[N@@H+](CC)CC1)[NH+]1CCCC1 ZINC000159584085 528853163 /nfs/dbraw/zinc/85/31/63/528853163.db2.gz ZBKGUAWESQHJPM-SFHVURJKSA-N 2 1 338.540 2.624 20 70 EFIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000159611362 528897918 /nfs/dbraw/zinc/89/79/18/528897918.db2.gz JHOYNHNTJWJHHQ-HKUYNNGSSA-N 2 1 346.519 2.631 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000159523522 279285286 /nfs/dbraw/zinc/28/52/86/279285286.db2.gz IWPMPJOGUXTMOC-KRWDZBQOSA-N 2 1 348.491 2.544 20 70 EFIDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161121531 473209137 /nfs/dbraw/zinc/20/91/37/473209137.db2.gz DCXJTQPGNVODNN-CLCXKQKWSA-N 2 1 337.458 2.859 20 70 EFIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161121531 473209139 /nfs/dbraw/zinc/20/91/39/473209139.db2.gz DCXJTQPGNVODNN-CLCXKQKWSA-N 2 1 337.458 2.859 20 70 EFIDMP CCC(CC)(C[NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000161265284 473221579 /nfs/dbraw/zinc/22/15/79/473221579.db2.gz LDNCPKCFOQFNJY-UHFFFAOYSA-N 2 1 335.467 2.625 20 70 EFIDMP CCC(CC)(C[NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000161265284 473221581 /nfs/dbraw/zinc/22/15/81/473221581.db2.gz LDNCPKCFOQFNJY-UHFFFAOYSA-N 2 1 335.467 2.625 20 70 EFIDMP CC[C@H](CNC(=O)C(CC)(CC)C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000161269139 473222169 /nfs/dbraw/zinc/22/21/69/473222169.db2.gz CMRCNCHZNRXQBU-GOSISDBHSA-N 2 1 331.504 2.705 20 70 EFIDMP CCC(CC)(C[NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000161274701 473222586 /nfs/dbraw/zinc/22/25/86/473222586.db2.gz YOLFVWHEDRPUIN-UHFFFAOYSA-N 2 1 332.423 2.701 20 70 EFIDMP C[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000161414778 473233350 /nfs/dbraw/zinc/23/33/50/473233350.db2.gz GTHFKGHHSGZJNR-UHFFFAOYSA-N 2 1 335.879 2.628 20 70 EFIDMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000161377868 473231221 /nfs/dbraw/zinc/23/12/21/473231221.db2.gz HHONYROKJBWDEW-AOCRQIFASA-N 2 1 349.544 2.997 20 70 EFIDMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000161377868 473231224 /nfs/dbraw/zinc/23/12/24/473231224.db2.gz HHONYROKJBWDEW-AOCRQIFASA-N 2 1 349.544 2.997 20 70 EFIDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000161451438 473236239 /nfs/dbraw/zinc/23/62/39/473236239.db2.gz FEYATEIDWZPHJM-OAHLLOKOSA-N 2 1 328.460 2.744 20 70 EFIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](COC)C(C)C)CC1 ZINC000160357806 473111784 /nfs/dbraw/zinc/11/17/84/473111784.db2.gz LVYRUTBKXRBQFC-FQEVSTJZSA-N 2 1 333.520 2.585 20 70 EFIDMP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1N1CCOCC1 ZINC000160436596 473124804 /nfs/dbraw/zinc/12/48/04/473124804.db2.gz SZGPBGFSLZNTAL-UHFFFAOYSA-N 2 1 331.504 2.831 20 70 EFIDMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1N1CCOCC1 ZINC000160436596 473124809 /nfs/dbraw/zinc/12/48/09/473124809.db2.gz SZGPBGFSLZNTAL-UHFFFAOYSA-N 2 1 331.504 2.831 20 70 EFIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-n2ccnc2)cc1 ZINC000160728722 473166887 /nfs/dbraw/zinc/16/68/87/473166887.db2.gz STJLOTVGVMLSBZ-FXAWDEMLSA-N 3 1 342.487 2.760 20 70 EFIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-n2ccnc2)cc1 ZINC000160728854 473167115 /nfs/dbraw/zinc/16/71/15/473167115.db2.gz STJLOTVGVMLSBZ-YLJYHZDGSA-N 3 1 342.487 2.760 20 70 EFIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000160918992 473192017 /nfs/dbraw/zinc/19/20/17/473192017.db2.gz XZFFMHRAKAIZMX-SFHVURJKSA-N 2 1 338.540 2.669 20 70 EFIDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000160282676 533850773 /nfs/dbraw/zinc/85/07/73/533850773.db2.gz ISNSIDSLJVNPAA-CVEARBPZSA-N 2 1 328.464 2.577 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000159858273 529022739 /nfs/dbraw/zinc/02/27/39/529022739.db2.gz RGZDBRHMEXNACI-QGZVFWFLSA-N 2 1 346.519 2.853 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000159940868 529023404 /nfs/dbraw/zinc/02/34/04/529023404.db2.gz SKNXDUVQHMVLIS-UHFFFAOYSA-N 2 1 336.524 2.521 20 70 EFIDMP [NH3+]C1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCCCC1 ZINC000159537018 239030732 /nfs/dbraw/zinc/03/07/32/239030732.db2.gz IAIVRMLBEOPIRF-QGZVFWFLSA-N 2 1 333.451 2.568 20 70 EFIDMP [NH3+]C1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCCCC1 ZINC000159537018 239030741 /nfs/dbraw/zinc/03/07/41/239030741.db2.gz IAIVRMLBEOPIRF-QGZVFWFLSA-N 2 1 333.451 2.568 20 70 EFIDMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@@H+](CC)CC2)c1 ZINC000159609875 206254562 /nfs/dbraw/zinc/25/45/62/206254562.db2.gz MDSKBRHOUPLZKD-UHFFFAOYSA-N 2 1 346.519 2.766 20 70 EFIDMP Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC000160445093 206297348 /nfs/dbraw/zinc/29/73/48/206297348.db2.gz BZGWIVDVWCRSRR-DYVFJYSZSA-N 2 1 336.443 2.746 20 70 EFIDMP CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000161110413 206329237 /nfs/dbraw/zinc/32/92/37/206329237.db2.gz NDHKCDRASFCGSH-HXUWFJFHSA-N 2 1 343.515 2.889 20 70 EFIDMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000161413965 206346496 /nfs/dbraw/zinc/34/64/96/206346496.db2.gz QGNNILMENAGOKI-CQSZACIVSA-N 2 1 337.895 2.761 20 70 EFIDMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000161195516 473216191 /nfs/dbraw/zinc/21/61/91/473216191.db2.gz KCEYQWDOPKKCCD-YQQAZPJKSA-N 2 1 336.476 2.854 20 70 EFIDMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000161195516 473216196 /nfs/dbraw/zinc/21/61/96/473216196.db2.gz KCEYQWDOPKKCCD-YQQAZPJKSA-N 2 1 336.476 2.854 20 70 EFIDMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000161289315 473224352 /nfs/dbraw/zinc/22/43/52/473224352.db2.gz NVFXQINTWDLEOR-OAHLLOKOSA-N 2 1 343.471 2.984 20 70 EFIDMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000159719419 473055774 /nfs/dbraw/zinc/05/57/74/473055774.db2.gz PAIACIKVAXHTTN-KRWDZBQOSA-N 2 1 347.528 2.967 20 70 EFIDMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000159719419 473055777 /nfs/dbraw/zinc/05/57/77/473055777.db2.gz PAIACIKVAXHTTN-KRWDZBQOSA-N 2 1 347.528 2.967 20 70 EFIDMP CC[N@H+]1CC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@H](C)C1 ZINC000159976755 473077859 /nfs/dbraw/zinc/07/78/59/473077859.db2.gz IJXFWYHNEMOEOM-ZBFHGGJFSA-N 2 1 335.458 2.971 20 70 EFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159990203 473079116 /nfs/dbraw/zinc/07/91/16/473079116.db2.gz TXYFQSJIZVCKSH-YCPHGPKFSA-N 2 1 335.458 2.969 20 70 EFIDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)[C@H]1CCOC1 ZINC000160326295 473108523 /nfs/dbraw/zinc/10/85/23/473108523.db2.gz AAQJAYYLYMGCEQ-SFTDATJTSA-N 2 1 345.531 2.729 20 70 EFIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160808455 473177135 /nfs/dbraw/zinc/17/71/35/473177135.db2.gz KFYLTUQGTXTOFD-HKUYNNGSSA-N 2 1 348.535 2.663 20 70 EFIDMP COc1ccccc1C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160881852 473186735 /nfs/dbraw/zinc/18/67/35/473186735.db2.gz FMEVOUHTPNUZNB-UHFFFAOYSA-N 2 1 331.504 2.689 20 70 EFIDMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160222838 225364993 /nfs/dbraw/zinc/36/49/93/225364993.db2.gz BMFOIQVCIPQHTL-MAUKXSAKSA-N 2 1 348.454 2.903 20 70 EFIDMP Cc1[nH+]ccn1-c1cncc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160222838 225364999 /nfs/dbraw/zinc/36/49/99/225364999.db2.gz BMFOIQVCIPQHTL-MAUKXSAKSA-N 2 1 348.454 2.903 20 70 EFIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161074427 473204869 /nfs/dbraw/zinc/20/48/69/473204869.db2.gz ZOIYAVSORCFYHC-CFVMTHIKSA-N 2 1 342.480 2.753 20 70 EFIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cncs1 ZINC000161174455 473214240 /nfs/dbraw/zinc/21/42/40/473214240.db2.gz XWADMIRVMTWWQI-CQSZACIVSA-N 2 1 331.485 2.951 20 70 EFIDMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCC3(CC1)OCCO3)C2 ZINC000161255295 473220548 /nfs/dbraw/zinc/22/05/48/473220548.db2.gz XPOGXFYWADDQHX-UHFFFAOYSA-N 2 1 330.472 2.710 20 70 EFIDMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCC3(CC1)OCCO3)C2 ZINC000161255295 473220551 /nfs/dbraw/zinc/22/05/51/473220551.db2.gz XPOGXFYWADDQHX-UHFFFAOYSA-N 2 1 330.472 2.710 20 70 EFIDMP C[N@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccccc4F)C3=O)CC[C@@H]21 ZINC000161392203 473231768 /nfs/dbraw/zinc/23/17/68/473231768.db2.gz YHIWAPXVGPJSDF-HHXXYDBFSA-N 2 1 345.462 2.737 20 70 EFIDMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000159719305 473054954 /nfs/dbraw/zinc/05/49/54/473054954.db2.gz PAIACIKVAXHTTN-QGZVFWFLSA-N 2 1 347.528 2.967 20 70 EFIDMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159719305 473054961 /nfs/dbraw/zinc/05/49/61/473054961.db2.gz PAIACIKVAXHTTN-QGZVFWFLSA-N 2 1 347.528 2.967 20 70 EFIDMP CSC[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000160257862 473102386 /nfs/dbraw/zinc/10/23/86/473102386.db2.gz GFTBMZNGFCXLDZ-SFHVURJKSA-N 2 1 340.508 2.536 20 70 EFIDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)[C@@H]1CCOC1 ZINC000160326190 473108946 /nfs/dbraw/zinc/10/89/46/473108946.db2.gz AAQJAYYLYMGCEQ-NHCUHLMSSA-N 2 1 345.531 2.729 20 70 EFIDMP Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC000160444962 473125169 /nfs/dbraw/zinc/12/51/69/473125169.db2.gz BZGWIVDVWCRSRR-CXAGYDPISA-N 2 1 336.443 2.746 20 70 EFIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160867265 473184558 /nfs/dbraw/zinc/18/45/58/473184558.db2.gz QEYRPVTWFLWFAC-SFHVURJKSA-N 2 1 348.535 2.521 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000159505904 529024317 /nfs/dbraw/zinc/02/43/17/529024317.db2.gz VLFUAAOVHOKBHM-IBGZPJMESA-N 2 1 344.503 2.561 20 70 EFIDMP CCc1nnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000160232084 529735449 /nfs/dbraw/zinc/73/54/49/529735449.db2.gz SFFJOUCSLYHQLU-UHFFFAOYSA-N 2 1 328.464 2.501 20 70 EFIDMP CCc1nnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000160232084 529735450 /nfs/dbraw/zinc/73/54/50/529735450.db2.gz SFFJOUCSLYHQLU-UHFFFAOYSA-N 2 1 328.464 2.501 20 70 EFIDMP [NH3+]C1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000159713183 239032944 /nfs/dbraw/zinc/03/29/44/239032944.db2.gz LYXBHUJPFCNYJP-GOSISDBHSA-N 2 1 329.488 2.676 20 70 EFIDMP CCOCCC[N@H+]1CC[C@@H](NC[C@H]2CCCC[NH+]2CC)[C@@H](C)C1 ZINC000161173819 473214259 /nfs/dbraw/zinc/21/42/59/473214259.db2.gz DDIHRWALZRDKFW-IPMKNSEASA-N 2 1 325.541 2.587 20 70 EFIDMP CCOCCC[NH+]1CC[C@@H](NC[C@H]2CCCC[N@@H+]2CC)[C@@H](C)C1 ZINC000161173819 473214262 /nfs/dbraw/zinc/21/42/62/473214262.db2.gz DDIHRWALZRDKFW-IPMKNSEASA-N 2 1 325.541 2.587 20 70 EFIDMP CCOCCC[NH+]1CC[C@@H](NC[C@H]2CCCC[N@H+]2CC)[C@@H](C)C1 ZINC000161173819 473214266 /nfs/dbraw/zinc/21/42/66/473214266.db2.gz DDIHRWALZRDKFW-IPMKNSEASA-N 2 1 325.541 2.587 20 70 EFIDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCCN2CC)[C@@H](C)C1 ZINC000161173819 473214271 /nfs/dbraw/zinc/21/42/71/473214271.db2.gz DDIHRWALZRDKFW-IPMKNSEASA-N 2 1 325.541 2.587 20 70 EFIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCCN2CC)[C@@H](C)C1 ZINC000161173819 473214274 /nfs/dbraw/zinc/21/42/74/473214274.db2.gz DDIHRWALZRDKFW-IPMKNSEASA-N 2 1 325.541 2.587 20 70 EFIDMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000161195727 473215854 /nfs/dbraw/zinc/21/58/54/473215854.db2.gz KCEYQWDOPKKCCD-ZOBUZTSGSA-N 2 1 336.476 2.854 20 70 EFIDMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000161195727 473215857 /nfs/dbraw/zinc/21/58/57/473215857.db2.gz KCEYQWDOPKKCCD-ZOBUZTSGSA-N 2 1 336.476 2.854 20 70 EFIDMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000161279938 473223457 /nfs/dbraw/zinc/22/34/57/473223457.db2.gz HPKYVVWSJXJDGD-OAHLLOKOSA-N 2 1 329.444 2.730 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000160293288 473105332 /nfs/dbraw/zinc/10/53/32/473105332.db2.gz OGMHUBADOOYGFD-HKUYNNGSSA-N 2 1 333.520 2.837 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000160293288 473105337 /nfs/dbraw/zinc/10/53/37/473105337.db2.gz OGMHUBADOOYGFD-HKUYNNGSSA-N 2 1 333.520 2.837 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000160293288 473105341 /nfs/dbraw/zinc/10/53/41/473105341.db2.gz OGMHUBADOOYGFD-HKUYNNGSSA-N 3 1 333.520 2.837 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000160293288 473105346 /nfs/dbraw/zinc/10/53/46/473105346.db2.gz OGMHUBADOOYGFD-HKUYNNGSSA-N 3 1 333.520 2.837 20 70 EFIDMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000160327227 473108307 /nfs/dbraw/zinc/10/83/07/473108307.db2.gz PEGDYQJDIRWXBK-UHFFFAOYSA-N 2 1 335.411 2.890 20 70 EFIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000160835005 473181005 /nfs/dbraw/zinc/18/10/05/473181005.db2.gz CDVRGUTZBMOHED-HKUYNNGSSA-N 2 1 348.535 2.663 20 70 EFIDMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161049126 473201566 /nfs/dbraw/zinc/20/15/66/473201566.db2.gz YMRNLEPGDRYOTP-YRXWBPOGSA-N 2 1 325.541 2.586 20 70 EFIDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161049126 473201570 /nfs/dbraw/zinc/20/15/70/473201570.db2.gz YMRNLEPGDRYOTP-YRXWBPOGSA-N 3 1 325.541 2.586 20 70 EFIDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161049126 473201571 /nfs/dbraw/zinc/20/15/71/473201571.db2.gz YMRNLEPGDRYOTP-YRXWBPOGSA-N 3 1 325.541 2.586 20 70 EFIDMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](CC)CC1)c1ccccc1 ZINC000159537510 528271677 /nfs/dbraw/zinc/27/16/77/528271677.db2.gz BDIPTMYHQSHHPN-LJQANCHMSA-N 2 1 346.519 2.807 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000159938373 529025201 /nfs/dbraw/zinc/02/52/01/529025201.db2.gz ODSNYJAXUFDDOI-GOSISDBHSA-N 2 1 346.519 2.634 20 70 EFIDMP CC[NH+]1CCCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000159938373 529025206 /nfs/dbraw/zinc/02/52/06/529025206.db2.gz ODSNYJAXUFDDOI-GOSISDBHSA-N 2 1 346.519 2.634 20 70 EFIDMP CC[NH+]1CCCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000159938373 529025211 /nfs/dbraw/zinc/02/52/11/529025211.db2.gz ODSNYJAXUFDDOI-GOSISDBHSA-N 2 1 346.519 2.634 20 70 EFIDMP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160106033 529871274 /nfs/dbraw/zinc/87/12/74/529871274.db2.gz ZANGVGFOEHHIDJ-CYBMUJFWSA-N 2 1 330.259 2.991 20 70 EFIDMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160106033 529871275 /nfs/dbraw/zinc/87/12/75/529871275.db2.gz ZANGVGFOEHHIDJ-CYBMUJFWSA-N 2 1 330.259 2.991 20 70 EFIDMP CCOCCC[N@H+]1CC[C@@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161049256 286059847 /nfs/dbraw/zinc/05/98/47/286059847.db2.gz YMRNLEPGDRYOTP-AKHDSKFASA-N 2 1 325.541 2.586 20 70 EFIDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161049256 286059848 /nfs/dbraw/zinc/05/98/48/286059848.db2.gz YMRNLEPGDRYOTP-AKHDSKFASA-N 3 1 325.541 2.586 20 70 EFIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161049256 286059849 /nfs/dbraw/zinc/05/98/49/286059849.db2.gz YMRNLEPGDRYOTP-AKHDSKFASA-N 3 1 325.541 2.586 20 70 EFIDMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000161506434 473240534 /nfs/dbraw/zinc/24/05/34/473240534.db2.gz NEVAGKRTQMYCOD-OAHLLOKOSA-N 2 1 328.460 2.685 20 70 EFIDMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(C)(C)O1 ZINC000160493394 473132544 /nfs/dbraw/zinc/13/25/44/473132544.db2.gz IYGUDGBTJOBVBJ-GOSISDBHSA-N 2 1 332.488 2.955 20 70 EFIDMP O[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000160532907 473138236 /nfs/dbraw/zinc/13/82/36/473138236.db2.gz BXHHNWUCEJMFTF-FXAWDEMLSA-N 2 1 334.479 2.973 20 70 EFIDMP CCc1nc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000160668672 473159554 /nfs/dbraw/zinc/15/95/54/473159554.db2.gz MHVWHQZISULEKI-DZGCQCFKSA-N 2 1 325.522 2.901 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000159609707 529026897 /nfs/dbraw/zinc/02/68/97/529026897.db2.gz PPMVBCFBJLLUIE-UHFFFAOYSA-N 2 1 344.503 2.520 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000159629422 206255658 /nfs/dbraw/zinc/25/56/58/206255658.db2.gz PSUCDPCJIVQMLP-IBGZPJMESA-N 2 1 344.503 2.561 20 70 EFIDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000160282816 206288241 /nfs/dbraw/zinc/28/82/41/206288241.db2.gz ISNSIDSLJVNPAA-HOTGVXAUSA-N 2 1 328.464 2.577 20 70 EFIDMP O[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000160532811 206302331 /nfs/dbraw/zinc/30/23/31/206302331.db2.gz BXHHNWUCEJMFTF-XLIONFOSSA-N 2 1 334.479 2.973 20 70 EFIDMP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160672520 206308612 /nfs/dbraw/zinc/30/86/12/206308612.db2.gz MALVMWVDGTUZEQ-JKSUJKDBSA-N 2 1 336.476 2.591 20 70 EFIDMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160672615 206309190 /nfs/dbraw/zinc/30/91/90/206309190.db2.gz MALVMWVDGTUZEQ-HZPDHXFCSA-N 2 1 336.476 2.591 20 70 EFIDMP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000161123097 206329332 /nfs/dbraw/zinc/32/93/32/206329332.db2.gz ATBDXUDVTGZZRP-HXUWFJFHSA-N 2 1 343.515 2.747 20 70 EFIDMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161181780 206332232 /nfs/dbraw/zinc/33/22/32/206332232.db2.gz RPDIYBJPRDXRPP-QGZVFWFLSA-N 2 1 327.476 2.785 20 70 EFIDMP c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161181780 206332235 /nfs/dbraw/zinc/33/22/35/206332235.db2.gz RPDIYBJPRDXRPP-QGZVFWFLSA-N 2 1 327.476 2.785 20 70 EFIDMP c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161181885 206333257 /nfs/dbraw/zinc/33/32/57/206333257.db2.gz RPDIYBJPRDXRPP-KRWDZBQOSA-N 2 1 327.476 2.785 20 70 EFIDMP c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161181885 206333259 /nfs/dbraw/zinc/33/32/59/206333259.db2.gz RPDIYBJPRDXRPP-KRWDZBQOSA-N 2 1 327.476 2.785 20 70 EFIDMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CC[NH+](C)CC1 ZINC000161498476 206352652 /nfs/dbraw/zinc/35/26/52/206352652.db2.gz USQFWSGHDNJVBI-AWEZNQCLSA-N 2 1 337.895 2.761 20 70 EFIDMP CCC(CC)(C[NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161293522 473224487 /nfs/dbraw/zinc/22/44/87/473224487.db2.gz VUAQEGPBOWIUJK-GOSISDBHSA-N 2 1 331.504 2.732 20 70 EFIDMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000160267740 473101765 /nfs/dbraw/zinc/10/17/65/473101765.db2.gz XJPDQGIFPXCRIA-UONOGXRCSA-N 2 1 343.313 2.888 20 70 EFIDMP CSC[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000160257730 473102173 /nfs/dbraw/zinc/10/21/73/473102173.db2.gz GFTBMZNGFCXLDZ-GOSISDBHSA-N 2 1 340.508 2.536 20 70 EFIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160808604 473177626 /nfs/dbraw/zinc/17/76/26/473177626.db2.gz KFYLTUQGTXTOFD-MJGOQNOKSA-N 2 1 348.535 2.663 20 70 EFIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160858809 473183531 /nfs/dbraw/zinc/18/35/31/473183531.db2.gz NUKOLLMFWMHIQG-HKUYNNGSSA-N 2 1 348.535 2.663 20 70 EFIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160858950 473183890 /nfs/dbraw/zinc/18/38/90/473183890.db2.gz NUKOLLMFWMHIQG-PKOBYXMFSA-N 2 1 348.535 2.663 20 70 EFIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160858690 473184041 /nfs/dbraw/zinc/18/40/41/473184041.db2.gz NUKOLLMFWMHIQG-IEBWSBKVSA-N 2 1 348.535 2.663 20 70 EFIDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161011808 473199319 /nfs/dbraw/zinc/19/93/19/473199319.db2.gz RZXSJHIDUUJTHW-IXDOHACOSA-N 2 1 331.504 2.844 20 70 EFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161062597 473203486 /nfs/dbraw/zinc/20/34/86/473203486.db2.gz KRHRUPGOGNGDMS-FUHIMQAGSA-N 2 1 339.483 2.715 20 70 EFIDMP Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC000160444864 282117181 /nfs/dbraw/zinc/11/71/81/282117181.db2.gz BZGWIVDVWCRSRR-GUYCJALGSA-N 2 1 336.443 2.746 20 70 EFIDMP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160067766 529871394 /nfs/dbraw/zinc/87/13/94/529871394.db2.gz GMEAYMKXMFOBLZ-CQSZACIVSA-N 2 1 330.259 2.991 20 70 EFIDMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160067766 529871396 /nfs/dbraw/zinc/87/13/96/529871396.db2.gz GMEAYMKXMFOBLZ-CQSZACIVSA-N 2 1 330.259 2.991 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000159629561 285214915 /nfs/dbraw/zinc/21/49/15/285214915.db2.gz PSUCDPCJIVQMLP-LJQANCHMSA-N 2 1 344.503 2.561 20 70 EFIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](COC)C(C)C)CC1 ZINC000160357918 279364250 /nfs/dbraw/zinc/36/42/50/279364250.db2.gz LVYRUTBKXRBQFC-HXUWFJFHSA-N 2 1 333.520 2.585 20 70 EFIDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)[C@@H]1CCOC1 ZINC000160358191 280190819 /nfs/dbraw/zinc/19/08/19/280190819.db2.gz UHERDZGALWAINW-NHCUHLMSSA-N 2 1 345.531 2.729 20 70 EFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159990447 473078659 /nfs/dbraw/zinc/07/86/59/473078659.db2.gz TXYFQSJIZVCKSH-IJEWVQPXSA-N 2 1 335.458 2.969 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160276428 473104153 /nfs/dbraw/zinc/10/41/53/473104153.db2.gz PAVBXVINEDASGB-PXNSSMCTSA-N 2 1 333.520 2.837 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000160276428 473104159 /nfs/dbraw/zinc/10/41/59/473104159.db2.gz PAVBXVINEDASGB-PXNSSMCTSA-N 2 1 333.520 2.837 20 70 EFIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](COC)C(C)C)cc2)CC1 ZINC000160325976 473108406 /nfs/dbraw/zinc/10/84/06/473108406.db2.gz VMEMWYRZYVXIRD-HXUWFJFHSA-N 2 1 333.520 2.585 20 70 EFIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](COC)C(C)C)cc2)CC1 ZINC000160325861 473108569 /nfs/dbraw/zinc/10/85/69/473108569.db2.gz VMEMWYRZYVXIRD-FQEVSTJZSA-N 2 1 333.520 2.585 20 70 EFIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)C3CCOCC3)cc2)CC1 ZINC000160332885 473110759 /nfs/dbraw/zinc/11/07/59/473110759.db2.gz ZXIJLTWWLIOKGL-SFHVURJKSA-N 2 1 345.531 2.729 20 70 EFIDMP Cc1ccc(NCCCNC(=O)N(CC[NH+](C)C)C2CCCC2)[nH+]c1 ZINC000160507855 473135743 /nfs/dbraw/zinc/13/57/43/473135743.db2.gz ADSDJHQUEQQUKQ-UHFFFAOYSA-N 2 1 347.507 2.708 20 70 EFIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161074542 473204181 /nfs/dbraw/zinc/20/41/81/473204181.db2.gz ZOIYAVSORCFYHC-YUELXQCFSA-N 2 1 342.480 2.753 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160270719 528151929 /nfs/dbraw/zinc/15/19/29/528151929.db2.gz YMMXNEMIKLYLKV-IEBWSBKVSA-N 3 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000160270719 528151933 /nfs/dbraw/zinc/15/19/33/528151933.db2.gz YMMXNEMIKLYLKV-IEBWSBKVSA-N 2 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160270719 528151940 /nfs/dbraw/zinc/15/19/40/528151940.db2.gz YMMXNEMIKLYLKV-IEBWSBKVSA-N 2 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160270719 528151945 /nfs/dbraw/zinc/15/19/45/528151945.db2.gz YMMXNEMIKLYLKV-IEBWSBKVSA-N 2 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000160284424 528155707 /nfs/dbraw/zinc/15/57/07/528155707.db2.gz RCQUQBMUQPMERT-MJGOQNOKSA-N 2 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000160284424 528155709 /nfs/dbraw/zinc/15/57/09/528155709.db2.gz RCQUQBMUQPMERT-MJGOQNOKSA-N 2 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159561409 279138581 /nfs/dbraw/zinc/13/85/81/279138581.db2.gz BQBGXLGXRAXFNZ-UHFFFAOYSA-N 2 1 346.519 2.766 20 70 EFIDMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000161280048 473223925 /nfs/dbraw/zinc/22/39/25/473223925.db2.gz HPKYVVWSJXJDGD-HNNXBMFYSA-N 2 1 329.444 2.730 20 70 EFIDMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000161413871 473233645 /nfs/dbraw/zinc/23/36/45/473233645.db2.gz QGNNILMENAGOKI-AWEZNQCLSA-N 2 1 337.895 2.761 20 70 EFIDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000161451311 473236068 /nfs/dbraw/zinc/23/60/68/473236068.db2.gz FEYATEIDWZPHJM-HNNXBMFYSA-N 2 1 328.460 2.744 20 70 EFIDMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@H](C)C1 ZINC000159976927 473077442 /nfs/dbraw/zinc/07/74/42/473077442.db2.gz IJXFWYHNEMOEOM-GDBMZVCRSA-N 2 1 335.458 2.971 20 70 EFIDMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C(C)(C)O1 ZINC000160493258 473132697 /nfs/dbraw/zinc/13/26/97/473132697.db2.gz IYGUDGBTJOBVBJ-SFHVURJKSA-N 2 1 332.488 2.955 20 70 EFIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000160738225 473168671 /nfs/dbraw/zinc/16/86/71/473168671.db2.gz DYQAXPFUTWKMBO-NVXWUHKLSA-N 2 1 337.483 2.779 20 70 EFIDMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC000160740718 473170163 /nfs/dbraw/zinc/17/01/63/473170163.db2.gz NJPXRBFGTLSSHA-HZPDHXFCSA-N 2 1 336.476 2.591 20 70 EFIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000159611634 528895853 /nfs/dbraw/zinc/89/58/53/528895853.db2.gz JHOYNHNTJWJHHQ-PKOBYXMFSA-N 2 1 346.519 2.631 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)CC1 ZINC000159600176 529030057 /nfs/dbraw/zinc/03/00/57/529030057.db2.gz LFGMCVRBJADFDO-UHFFFAOYSA-N 2 1 346.519 2.764 20 70 EFIDMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000159600176 529030062 /nfs/dbraw/zinc/03/00/62/529030062.db2.gz LFGMCVRBJADFDO-UHFFFAOYSA-N 2 1 346.519 2.764 20 70 EFIDMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000159600176 529030067 /nfs/dbraw/zinc/03/00/67/529030067.db2.gz LFGMCVRBJADFDO-UHFFFAOYSA-N 2 1 346.519 2.764 20 70 EFIDMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000159845833 529297158 /nfs/dbraw/zinc/29/71/58/529297158.db2.gz CBBOCBGWOFGFRL-QGZVFWFLSA-N 2 1 338.540 2.624 20 70 EFIDMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159845833 529297160 /nfs/dbraw/zinc/29/71/60/529297160.db2.gz CBBOCBGWOFGFRL-QGZVFWFLSA-N 2 1 338.540 2.624 20 70 EFIDMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000159845833 529297161 /nfs/dbraw/zinc/29/71/61/529297161.db2.gz CBBOCBGWOFGFRL-QGZVFWFLSA-N 2 1 338.540 2.624 20 70 EFIDMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161407395 310709025 /nfs/dbraw/zinc/70/90/25/310709025.db2.gz HVUGQNAYKQCYIY-INIZCTEOSA-N 2 1 349.523 2.591 20 70 EFIDMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000161195388 473216388 /nfs/dbraw/zinc/21/63/88/473216388.db2.gz KCEYQWDOPKKCCD-HLLBOEOZSA-N 2 1 336.476 2.854 20 70 EFIDMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000161195388 473216391 /nfs/dbraw/zinc/21/63/91/473216391.db2.gz KCEYQWDOPKKCCD-HLLBOEOZSA-N 2 1 336.476 2.854 20 70 EFIDMP Cc1cc(C(=O)NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c(C)o1 ZINC000161321063 473226162 /nfs/dbraw/zinc/22/61/62/473226162.db2.gz QPKDCDQERDKCGB-UHFFFAOYSA-N 2 1 347.503 2.967 20 70 EFIDMP CC(=O)NC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000161362190 473230148 /nfs/dbraw/zinc/23/01/48/473230148.db2.gz ZFOLGBFHHUJHHM-UHFFFAOYSA-N 2 1 344.434 2.857 20 70 EFIDMP CCOCCC[N@H+]1CC[C@H](NCCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264237 473102443 /nfs/dbraw/zinc/10/24/43/473102443.db2.gz SJKBVBSNDNXJHC-AABGKKOBSA-N 2 1 339.568 2.978 20 70 EFIDMP CCOCCC[NH+]1CC[C@H](NCCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264237 473102450 /nfs/dbraw/zinc/10/24/50/473102450.db2.gz SJKBVBSNDNXJHC-AABGKKOBSA-N 2 1 339.568 2.978 20 70 EFIDMP CCOCCC[NH+]1CC[C@H](NCCC[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264237 473102456 /nfs/dbraw/zinc/10/24/56/473102456.db2.gz SJKBVBSNDNXJHC-AABGKKOBSA-N 2 1 339.568 2.978 20 70 EFIDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264237 473102461 /nfs/dbraw/zinc/10/24/61/473102461.db2.gz SJKBVBSNDNXJHC-AABGKKOBSA-N 3 1 339.568 2.978 20 70 EFIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264237 473102467 /nfs/dbraw/zinc/10/24/67/473102467.db2.gz SJKBVBSNDNXJHC-AABGKKOBSA-N 3 1 339.568 2.978 20 70 EFIDMP CCOCCC[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264237 473102474 /nfs/dbraw/zinc/10/24/74/473102474.db2.gz SJKBVBSNDNXJHC-AABGKKOBSA-N 3 1 339.568 2.978 20 70 EFIDMP CCOCCC[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264237 473102477 /nfs/dbraw/zinc/10/24/77/473102477.db2.gz SJKBVBSNDNXJHC-AABGKKOBSA-N 3 1 339.568 2.978 20 70 EFIDMP CCc1nc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000160668527 473158616 /nfs/dbraw/zinc/15/86/16/473158616.db2.gz MHVWHQZISULEKI-UKRRQHHQSA-N 2 1 325.522 2.901 20 70 EFIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000160691945 473161579 /nfs/dbraw/zinc/16/15/79/473161579.db2.gz VGGXZPPBEDCECI-MSOLQXFVSA-N 2 1 348.487 2.735 20 70 EFIDMP O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160782389 473175180 /nfs/dbraw/zinc/17/51/80/473175180.db2.gz XCYLEARHQFXHEG-QGZVFWFLSA-N 2 1 336.524 2.615 20 70 EFIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160915421 473190375 /nfs/dbraw/zinc/19/03/75/473190375.db2.gz DOBUYJQLIWYMLM-INIZCTEOSA-N 2 1 336.524 2.519 20 70 EFIDMP CCC(CC)[C@@H](CNC(=O)N1CCC[N@@H+](CC)CC1)[NH+]1CCCC1 ZINC000159583958 282236212 /nfs/dbraw/zinc/23/62/12/282236212.db2.gz ZBKGUAWESQHJPM-GOSISDBHSA-N 2 1 338.540 2.624 20 70 EFIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000159506068 206250463 /nfs/dbraw/zinc/25/04/63/206250463.db2.gz VLFUAAOVHOKBHM-LJQANCHMSA-N 2 1 344.503 2.561 20 70 EFIDMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[N@@H+](CC)CC2)cc1 ZINC000159560362 206251613 /nfs/dbraw/zinc/25/16/13/206251613.db2.gz AJCXFNOFVNCJHP-UHFFFAOYSA-N 2 1 346.519 2.766 20 70 EFIDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160573881 206305291 /nfs/dbraw/zinc/30/52/91/206305291.db2.gz JFKZIRZPUUDLOE-NSHDSACASA-N 2 1 340.349 2.510 20 70 EFIDMP CC(=O)NC1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000161425658 206348416 /nfs/dbraw/zinc/34/84/16/206348416.db2.gz CAXFTDYTUDVISZ-QNGMFEMESA-N 2 1 343.515 2.588 20 70 EFIDMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000161425973 206348532 /nfs/dbraw/zinc/34/85/32/206348532.db2.gz UGJJMLPWMDCWJO-IBGZPJMESA-N 2 1 344.499 2.826 20 70 EFIDMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)o1 ZINC000161289430 473225082 /nfs/dbraw/zinc/22/50/82/473225082.db2.gz NVFXQINTWDLEOR-HNNXBMFYSA-N 2 1 343.471 2.984 20 70 EFIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000159611227 473044075 /nfs/dbraw/zinc/04/40/75/473044075.db2.gz JHOYNHNTJWJHHQ-MJGOQNOKSA-N 2 1 346.519 2.631 20 70 EFIDMP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000160060171 473084621 /nfs/dbraw/zinc/08/46/21/473084621.db2.gz UIPFZRRJWSFTBU-IBGZPJMESA-N 2 1 344.503 2.516 20 70 EFIDMP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000160060171 473084629 /nfs/dbraw/zinc/08/46/29/473084629.db2.gz UIPFZRRJWSFTBU-IBGZPJMESA-N 2 1 344.503 2.516 20 70 EFIDMP CCOCCC[N@H+]1CC[C@@H](NCCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264374 473102233 /nfs/dbraw/zinc/10/22/33/473102233.db2.gz SJKBVBSNDNXJHC-HSALFYBXSA-N 2 1 339.568 2.978 20 70 EFIDMP CCOCCC[NH+]1CC[C@@H](NCCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264374 473102237 /nfs/dbraw/zinc/10/22/37/473102237.db2.gz SJKBVBSNDNXJHC-HSALFYBXSA-N 2 1 339.568 2.978 20 70 EFIDMP CCOCCC[NH+]1CC[C@@H](NCCC[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264374 473102242 /nfs/dbraw/zinc/10/22/42/473102242.db2.gz SJKBVBSNDNXJHC-HSALFYBXSA-N 2 1 339.568 2.978 20 70 EFIDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264374 473102246 /nfs/dbraw/zinc/10/22/46/473102246.db2.gz SJKBVBSNDNXJHC-HSALFYBXSA-N 3 1 339.568 2.978 20 70 EFIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264374 473102249 /nfs/dbraw/zinc/10/22/49/473102249.db2.gz SJKBVBSNDNXJHC-HSALFYBXSA-N 3 1 339.568 2.978 20 70 EFIDMP CCOCCC[NH+]1CC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264374 473102254 /nfs/dbraw/zinc/10/22/54/473102254.db2.gz SJKBVBSNDNXJHC-HSALFYBXSA-N 3 1 339.568 2.978 20 70 EFIDMP CCOCCC[NH+]1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264374 473102259 /nfs/dbraw/zinc/10/22/59/473102259.db2.gz SJKBVBSNDNXJHC-HSALFYBXSA-N 3 1 339.568 2.978 20 70 EFIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000160364824 473112861 /nfs/dbraw/zinc/11/28/61/473112861.db2.gz OQSWGUNZMQYKKQ-SFHVURJKSA-N 2 1 345.531 2.729 20 70 EFIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160867384 473186304 /nfs/dbraw/zinc/18/63/04/473186304.db2.gz QEYRPVTWFLWFAC-GOSISDBHSA-N 2 1 348.535 2.521 20 70 EFIDMP Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000160967763 473195020 /nfs/dbraw/zinc/19/50/20/473195020.db2.gz VMYIMYOAVFCYOD-APWZRJJASA-N 2 1 329.488 2.672 20 70 EFIDMP Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000160967763 473195023 /nfs/dbraw/zinc/19/50/23/473195023.db2.gz VMYIMYOAVFCYOD-APWZRJJASA-N 2 1 329.488 2.672 20 70 EFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161062206 473203442 /nfs/dbraw/zinc/20/34/42/473203442.db2.gz KRHRUPGOGNGDMS-HLIPFELVSA-N 2 1 339.483 2.715 20 70 EFIDMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000159845940 529216575 /nfs/dbraw/zinc/21/65/75/529216575.db2.gz CBBOCBGWOFGFRL-KRWDZBQOSA-N 2 1 338.540 2.624 20 70 EFIDMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159845940 529216577 /nfs/dbraw/zinc/21/65/77/529216577.db2.gz CBBOCBGWOFGFRL-KRWDZBQOSA-N 2 1 338.540 2.624 20 70 EFIDMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](CC)CC2)C1 ZINC000159845940 529216579 /nfs/dbraw/zinc/21/65/79/529216579.db2.gz CBBOCBGWOFGFRL-KRWDZBQOSA-N 2 1 338.540 2.624 20 70 EFIDMP CCc1ccc([C@@H](CNC(=O)N2CCC[N@H+](CC)CC2)[NH+](C)C)cc1 ZINC000159535982 529708629 /nfs/dbraw/zinc/70/86/29/529708629.db2.gz FTOKLMWYTHVQPS-LJQANCHMSA-N 2 1 346.519 2.589 20 70 EFIDMP CC(=O)NC1CCC([NH2+]C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000161309425 273492166 /nfs/dbraw/zinc/49/21/66/273492166.db2.gz MMULRKVGCDZHID-UHFFFAOYSA-N 2 1 343.515 2.996 20 70 EFIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000161123584 473209343 /nfs/dbraw/zinc/20/93/43/473209343.db2.gz OLIZXJUQPSCTFT-AEFFLSMTSA-N 2 1 348.487 2.684 20 70 EFIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000161123732 473209611 /nfs/dbraw/zinc/20/96/11/473209611.db2.gz OLIZXJUQPSCTFT-SJLPKXTDSA-N 2 1 348.487 2.684 20 70 EFIDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161407509 473233815 /nfs/dbraw/zinc/23/38/15/473233815.db2.gz HVUGQNAYKQCYIY-MRXNPFEDSA-N 2 1 349.523 2.591 20 70 EFIDMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161382845 473231063 /nfs/dbraw/zinc/23/10/63/473231063.db2.gz WDZYAXUDQMOOFN-MRXNPFEDSA-N 2 1 325.497 2.852 20 70 EFIDMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161382845 473231067 /nfs/dbraw/zinc/23/10/67/473231067.db2.gz WDZYAXUDQMOOFN-MRXNPFEDSA-N 2 1 325.497 2.852 20 70 EFIDMP CC(C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000159770164 473059281 /nfs/dbraw/zinc/05/92/81/473059281.db2.gz CGCVBEZSHRPRNO-UHFFFAOYSA-N 2 1 331.508 2.772 20 70 EFIDMP CC(C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000159770164 473059285 /nfs/dbraw/zinc/05/92/85/473059285.db2.gz CGCVBEZSHRPRNO-UHFFFAOYSA-N 2 1 331.508 2.772 20 70 EFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159990068 473078158 /nfs/dbraw/zinc/07/81/58/473078158.db2.gz TXYFQSJIZVCKSH-FMKPAKJESA-N 2 1 335.458 2.969 20 70 EFIDMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@H]21 ZINC000160287455 473105969 /nfs/dbraw/zinc/10/59/69/473105969.db2.gz GWNNWWKWLFVKMD-QZTJIDSGSA-N 2 1 335.536 2.687 20 70 EFIDMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@H]21 ZINC000160287455 473105976 /nfs/dbraw/zinc/10/59/76/473105976.db2.gz GWNNWWKWLFVKMD-QZTJIDSGSA-N 2 1 335.536 2.687 20 70 EFIDMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@H]21 ZINC000160287455 473105983 /nfs/dbraw/zinc/10/59/83/473105983.db2.gz GWNNWWKWLFVKMD-QZTJIDSGSA-N 2 1 335.536 2.687 20 70 EFIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)C3CCOCC3)cc2)CC1 ZINC000160333024 473110359 /nfs/dbraw/zinc/11/03/59/473110359.db2.gz ZXIJLTWWLIOKGL-GOSISDBHSA-N 2 1 345.531 2.729 20 70 EFIDMP C[C@H]1CCCN(C(=O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)C1 ZINC000160596789 473149576 /nfs/dbraw/zinc/14/95/76/473149576.db2.gz XVCGLOJYOSJDRJ-SFHVURJKSA-N 2 1 335.536 2.833 20 70 EFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161062309 473203806 /nfs/dbraw/zinc/20/38/06/473203806.db2.gz KRHRUPGOGNGDMS-UWVAXJGDSA-N 2 1 339.483 2.715 20 70 EFIDMP Cc1nc(CN2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cs1 ZINC000159718906 534359411 /nfs/dbraw/zinc/35/94/11/534359411.db2.gz FUVOVBMOBQJTSL-UHFFFAOYSA-N 2 1 333.505 2.554 20 70 EFIDMP CCc1ccc([C@H](CNC(=O)N2CCC[N@H+](CC)CC2)[NH+](C)C)cc1 ZINC000159536058 529723493 /nfs/dbraw/zinc/72/34/93/529723493.db2.gz FTOKLMWYTHVQPS-IBGZPJMESA-N 2 1 346.519 2.589 20 70 EFIDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159621047 279270164 /nfs/dbraw/zinc/27/01/64/279270164.db2.gz AOPHFTAIUPZDNM-ZWKOTPCHSA-N 2 1 336.524 2.521 20 70 EFIDMP C[N@H+]1CCC[C@H]2CN([C@@H]3CCCN(c4ccccc4F)C3=O)CC[C@@H]21 ZINC000161392075 473231532 /nfs/dbraw/zinc/23/15/32/473231532.db2.gz YHIWAPXVGPJSDF-VDZJLULYSA-N 2 1 345.462 2.737 20 70 EFIDMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CC[NH+](C)CC1 ZINC000161498585 473239843 /nfs/dbraw/zinc/23/98/43/473239843.db2.gz USQFWSGHDNJVBI-CQSZACIVSA-N 2 1 337.895 2.761 20 70 EFIDMP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000160060291 473084475 /nfs/dbraw/zinc/08/44/75/473084475.db2.gz UIPFZRRJWSFTBU-LJQANCHMSA-N 2 1 344.503 2.516 20 70 EFIDMP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000160060291 473084481 /nfs/dbraw/zinc/08/44/81/473084481.db2.gz UIPFZRRJWSFTBU-LJQANCHMSA-N 2 1 344.503 2.516 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000160293158 473105513 /nfs/dbraw/zinc/10/55/13/473105513.db2.gz OGMHUBADOOYGFD-PKOBYXMFSA-N 2 1 333.520 2.837 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000160293158 473105518 /nfs/dbraw/zinc/10/55/18/473105518.db2.gz OGMHUBADOOYGFD-PKOBYXMFSA-N 2 1 333.520 2.837 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000160293158 473105525 /nfs/dbraw/zinc/10/55/25/473105525.db2.gz OGMHUBADOOYGFD-PKOBYXMFSA-N 3 1 333.520 2.837 20 70 EFIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000160293158 473105534 /nfs/dbraw/zinc/10/55/34/473105534.db2.gz OGMHUBADOOYGFD-PKOBYXMFSA-N 3 1 333.520 2.837 20 70 EFIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)C2CCOCC2)CC1 ZINC000160364960 473113342 /nfs/dbraw/zinc/11/33/42/473113342.db2.gz OQSWGUNZMQYKKQ-GOSISDBHSA-N 2 1 345.531 2.729 20 70 EFIDMP CC1(C)C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)O1 ZINC000160625894 473153546 /nfs/dbraw/zinc/15/35/46/473153546.db2.gz UTOBMXZHRKYZME-SFHVURJKSA-N 2 1 332.488 2.955 20 70 EFIDMP CC1CCN(C(=O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)CC1 ZINC000160624973 473153966 /nfs/dbraw/zinc/15/39/66/473153966.db2.gz XRDLRIOUGSADCC-UHFFFAOYSA-N 2 1 335.536 2.833 20 70 EFIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000160692064 473162107 /nfs/dbraw/zinc/16/21/07/473162107.db2.gz VGGXZPPBEDCECI-QZTJIDSGSA-N 2 1 348.487 2.735 20 70 EFIDMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cn1 ZINC000160705551 473163257 /nfs/dbraw/zinc/16/32/57/473163257.db2.gz NFFKJZQUXFXAGQ-UHFFFAOYSA-N 2 1 349.438 2.567 20 70 EFIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000160915341 473190719 /nfs/dbraw/zinc/19/07/19/473190719.db2.gz DOBUYJQLIWYMLM-MRXNPFEDSA-N 2 1 336.524 2.519 20 70 EFIDMP Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000160967652 473195273 /nfs/dbraw/zinc/19/52/73/473195273.db2.gz VMYIMYOAVFCYOD-VQIMIIECSA-N 2 1 329.488 2.672 20 70 EFIDMP Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000160967652 473195278 /nfs/dbraw/zinc/19/52/78/473195278.db2.gz VMYIMYOAVFCYOD-VQIMIIECSA-N 2 1 329.488 2.672 20 70 EFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161062435 473203576 /nfs/dbraw/zinc/20/35/76/473203576.db2.gz KRHRUPGOGNGDMS-MBOZVWFJSA-N 2 1 339.483 2.715 20 70 EFIDMP CCc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000216914901 524049014 /nfs/dbraw/zinc/04/90/14/524049014.db2.gz AQWCMOHQXKJEBL-BEFAXECRSA-N 2 1 346.519 2.634 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160270825 528152030 /nfs/dbraw/zinc/15/20/30/528152030.db2.gz YMMXNEMIKLYLKV-MJGOQNOKSA-N 3 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000160270825 528152034 /nfs/dbraw/zinc/15/20/34/528152034.db2.gz YMMXNEMIKLYLKV-MJGOQNOKSA-N 2 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160270825 528152036 /nfs/dbraw/zinc/15/20/36/528152036.db2.gz YMMXNEMIKLYLKV-MJGOQNOKSA-N 2 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160270825 528152043 /nfs/dbraw/zinc/15/20/43/528152043.db2.gz YMMXNEMIKLYLKV-MJGOQNOKSA-N 2 1 333.520 2.980 20 70 EFIDMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](CC)CC1)c1ccccc1 ZINC000159537382 528238218 /nfs/dbraw/zinc/23/82/18/528238218.db2.gz BDIPTMYHQSHHPN-IBGZPJMESA-N 2 1 346.519 2.807 20 70 EFIDMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000159611496 528896300 /nfs/dbraw/zinc/89/63/00/528896300.db2.gz JHOYNHNTJWJHHQ-IEBWSBKVSA-N 2 1 346.519 2.631 20 70 EFIDMP [NH3+]C1(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000159713025 239032096 /nfs/dbraw/zinc/03/20/96/239032096.db2.gz LYXBHUJPFCNYJP-SFHVURJKSA-N 2 1 329.488 2.676 20 70 EFIDMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159621174 279280513 /nfs/dbraw/zinc/28/05/13/279280513.db2.gz AOPHFTAIUPZDNM-ROUUACIJSA-N 2 1 336.524 2.521 20 70 EFIDMP CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000161123207 473209153 /nfs/dbraw/zinc/20/91/53/473209153.db2.gz ATBDXUDVTGZZRP-FQEVSTJZSA-N 2 1 343.515 2.747 20 70 EFIDMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000161506327 473240794 /nfs/dbraw/zinc/24/07/94/473240794.db2.gz NEVAGKRTQMYCOD-HNNXBMFYSA-N 2 1 328.460 2.685 20 70 EFIDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)[C@@H]1CCOC1 ZINC000160358061 473111979 /nfs/dbraw/zinc/11/19/79/473111979.db2.gz UHERDZGALWAINW-RTWAWAEBSA-N 2 1 345.531 2.729 20 70 EFIDMP CCC[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000160478739 473131642 /nfs/dbraw/zinc/13/16/42/473131642.db2.gz KEULPCYLONOVBS-UHFFFAOYSA-N 2 1 339.487 2.641 20 70 EFIDMP CCC[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000160478739 473131650 /nfs/dbraw/zinc/13/16/50/473131650.db2.gz KEULPCYLONOVBS-UHFFFAOYSA-N 2 1 339.487 2.641 20 70 EFIDMP C[C@@H]1CCCN(C(=O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)C1 ZINC000160596667 473148738 /nfs/dbraw/zinc/14/87/38/473148738.db2.gz XVCGLOJYOSJDRJ-GOSISDBHSA-N 2 1 335.536 2.833 20 70 EFIDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)O1 ZINC000160626031 473153766 /nfs/dbraw/zinc/15/37/66/473153766.db2.gz UTOBMXZHRKYZME-GOSISDBHSA-N 2 1 332.488 2.955 20 70 EFIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160858546 473183085 /nfs/dbraw/zinc/18/30/85/473183085.db2.gz NUKOLLMFWMHIQG-MJGOQNOKSA-N 2 1 348.535 2.663 20 70 EFIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161074789 473204404 /nfs/dbraw/zinc/20/44/04/473204404.db2.gz ZOIYAVSORCFYHC-SNPRPXQTSA-N 2 1 342.480 2.753 20 70 EFIDMP CCc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000216914957 524048978 /nfs/dbraw/zinc/04/89/78/524048978.db2.gz AQWCMOHQXKJEBL-KXBFYZLASA-N 2 1 346.519 2.634 20 70 EFIDMP [NH3+]CCCOC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000161507595 527182237 /nfs/dbraw/zinc/18/22/37/527182237.db2.gz XXKJABPLRFZOLL-UHFFFAOYSA-N 2 1 345.256 2.918 20 70 EFIDMP