smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCSC4(CCOCC4)C3)cc2)CC1 ZINC000770685181 1078934113 /nfs/dbraw/zinc/93/41/13/1078934113.db2.gz KVGZXNSQROJXEP-UHFFFAOYSA-N 2 1 418.607 2.365 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCSC4(CCOCC4)C3)cc2)CC1 ZINC000770685181 1078934121 /nfs/dbraw/zinc/93/41/21/1078934121.db2.gz KVGZXNSQROJXEP-UHFFFAOYSA-N 2 1 418.607 2.365 20 0 HEADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000770770605 1078989656 /nfs/dbraw/zinc/98/96/56/1078989656.db2.gz NCCBXRSHJFGLBV-RTWAWAEBSA-N 2 1 401.555 2.193 20 0 HEADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943705 1079082285 /nfs/dbraw/zinc/08/22/85/1079082285.db2.gz ZUNYZPDLVRWMOD-LJQANCHMSA-N 2 1 405.539 2.003 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@@]3(CCC[N@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)n1 ZINC001169128644 1079147747 /nfs/dbraw/zinc/14/77/47/1079147747.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 2 1 414.598 2.087 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@@]3(CCC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)n1 ZINC001169128644 1079147750 /nfs/dbraw/zinc/14/77/50/1079147750.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 2 1 414.598 2.087 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@@]3(CCC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)n1 ZINC001169128644 1079147753 /nfs/dbraw/zinc/14/77/53/1079147753.db2.gz GCKBADXYOFPCED-VLVHOKLOSA-N 2 1 414.598 2.087 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2cncc(OCC[NH+]3CCCC3)n2)c2ccccc12 ZINC001169110305 1079157823 /nfs/dbraw/zinc/15/78/23/1079157823.db2.gz DHEVHHRIOMMUQV-HSZRJFAPSA-N 2 1 423.517 2.328 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc(OCC[NH+]3CCCC3)nn2)c2ccccc12 ZINC001169114367 1079161680 /nfs/dbraw/zinc/16/16/80/1079161680.db2.gz YHFPSDRAFSTJDA-QHCPKHFHSA-N 2 1 423.517 2.328 20 0 HEADMP CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC001169224312 1079201993 /nfs/dbraw/zinc/20/19/93/1079201993.db2.gz IOHWDIGYCHOGCG-BHDDXSALSA-N 2 1 423.598 2.401 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)CO1 ZINC001169384530 1079255606 /nfs/dbraw/zinc/25/56/06/1079255606.db2.gz FWKMGXPFFBSUQH-HBMCJLEFSA-N 2 1 417.550 2.248 20 0 HEADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000771460123 1079333966 /nfs/dbraw/zinc/33/39/66/1079333966.db2.gz AUICEJNFOUXNNG-UHFFFAOYSA-N 2 1 416.566 2.422 20 0 HEADMP [NH3+]C1CCN(c2nccc(N[C@@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)n2)CC1 ZINC001169516895 1079328338 /nfs/dbraw/zinc/32/83/38/1079328338.db2.gz WCWKLHKZRWVHFE-GHTZIAJQSA-N 2 1 424.549 2.275 20 0 HEADMP CCOC(=O)N1CCC[C@H](N(c2[nH+]ccn2C)[C@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001169688611 1079370230 /nfs/dbraw/zinc/37/02/30/1079370230.db2.gz YSGMVNHKQSVCCO-ZWKOTPCHSA-N 2 1 405.543 2.149 20 0 HEADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCCN(C(=O)c3ccccc3)C1)CC2 ZINC001169772248 1079406511 /nfs/dbraw/zinc/40/65/11/1079406511.db2.gz RGGJYSTXQBYDRF-JOCHJYFZSA-N 2 1 422.573 2.115 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755525 1079485079 /nfs/dbraw/zinc/48/50/79/1079485079.db2.gz FOUARNOBRXPWEV-IEBWSBKVSA-N 2 1 404.555 2.252 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755525 1079485091 /nfs/dbraw/zinc/48/50/91/1079485091.db2.gz FOUARNOBRXPWEV-IEBWSBKVSA-N 2 1 404.555 2.252 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000738515888 1075998896 /nfs/dbraw/zinc/99/88/96/1075998896.db2.gz CNFYSWKPFVRAQM-RTWAWAEBSA-N 2 1 400.567 2.039 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC000743148000 1076977396 /nfs/dbraw/zinc/97/73/96/1076977396.db2.gz WHYXSEKORFABHK-LJQANCHMSA-N 2 1 405.543 2.200 20 0 HEADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[NH+]1CCC(C)CC1 ZINC000743413110 1077049087 /nfs/dbraw/zinc/04/90/87/1077049087.db2.gz AVFHTLBCZDEHKG-IBGZPJMESA-N 2 1 415.582 2.004 20 0 HEADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)cn2)CC1 ZINC000767740298 1080059997 /nfs/dbraw/zinc/05/99/97/1080059997.db2.gz MKWWKPBCNRURGA-IBGZPJMESA-N 2 1 418.586 2.402 20 0 HEADMP CSC[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000767769605 1080077875 /nfs/dbraw/zinc/07/78/75/1080077875.db2.gz BJGUCNSSVNAUBN-RXVVDRJESA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@@H]1CCC[N@H+]1CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000767769605 1080077883 /nfs/dbraw/zinc/07/78/83/1080077883.db2.gz BJGUCNSSVNAUBN-RXVVDRJESA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@@H]1CCC[NH+]1CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000767769605 1080077895 /nfs/dbraw/zinc/07/78/95/1080077895.db2.gz BJGUCNSSVNAUBN-RXVVDRJESA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@@H]1CCC[NH+]1CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000767769605 1080077908 /nfs/dbraw/zinc/07/79/08/1080077908.db2.gz BJGUCNSSVNAUBN-RXVVDRJESA-N 2 1 402.564 2.358 20 0 HEADMP Cc1ccccc1C[NH+]1CCCN(C(=O)COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000785730720 1080205161 /nfs/dbraw/zinc/20/51/61/1080205161.db2.gz NYCOHLWPHSPDSU-BGYRXZFFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccccc1C[NH+]1CCCN(C(=O)COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000785730720 1080205176 /nfs/dbraw/zinc/20/51/76/1080205176.db2.gz NYCOHLWPHSPDSU-BGYRXZFFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000785730720 1080205194 /nfs/dbraw/zinc/20/51/94/1080205194.db2.gz NYCOHLWPHSPDSU-BGYRXZFFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000785730720 1080205213 /nfs/dbraw/zinc/20/52/13/1080205213.db2.gz NYCOHLWPHSPDSU-BGYRXZFFSA-N 2 1 401.551 2.445 20 0 HEADMP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000786344376 1080552955 /nfs/dbraw/zinc/55/29/55/1080552955.db2.gz OFDLSGXYDBSGIK-ZDUSSCGKSA-N 2 1 411.344 2.050 20 0 HEADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000786344376 1080552966 /nfs/dbraw/zinc/55/29/66/1080552966.db2.gz OFDLSGXYDBSGIK-ZDUSSCGKSA-N 2 1 411.344 2.050 20 0 HEADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1C ZINC001164407430 718839512 /nfs/dbraw/zinc/83/95/12/718839512.db2.gz WUHUTHZMNAYIKU-QGZVFWFLSA-N 2 1 400.596 2.388 20 0 HEADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3C[NH2+]C[C@]3(CO)C2)n1 ZINC001164401773 718854202 /nfs/dbraw/zinc/85/42/02/718854202.db2.gz CXWSLQNYJOECHR-OPAMFIHVSA-N 2 1 409.559 2.438 20 0 HEADMP COC(=O)/C=C\c1cc2cc[nH]c2c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684779 719633488 /nfs/dbraw/zinc/63/34/88/719633488.db2.gz XPALXUULWXGAHQ-WAYWQWQTSA-N 2 1 408.506 2.421 20 0 HEADMP COC(=O)/C=C\c1cc2cc[nH]c2c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684779 719633496 /nfs/dbraw/zinc/63/34/96/719633496.db2.gz XPALXUULWXGAHQ-WAYWQWQTSA-N 2 1 408.506 2.421 20 0 HEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164841715 720670490 /nfs/dbraw/zinc/67/04/90/720670490.db2.gz PRTMUDGMSRCJBI-OAQYLSRUSA-N 2 1 422.577 2.146 20 0 HEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(n3)CC[NH2+]C4)C2)C1 ZINC001164775784 721337406 /nfs/dbraw/zinc/33/74/06/721337406.db2.gz AFCTWRWJZFLSPS-HSZRJFAPSA-N 2 1 411.550 2.451 20 0 HEADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164899643 721518001 /nfs/dbraw/zinc/51/80/01/721518001.db2.gz LLDKKVALOYPQLT-GDBMZVCRSA-N 2 1 403.889 2.257 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@@H]2CCCO[C@H]12 ZINC001164795701 721526317 /nfs/dbraw/zinc/52/63/17/721526317.db2.gz RSKITCGAZXEYKB-QRVBRYPASA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@@H]2CCCO[C@H]12 ZINC001164795701 721526321 /nfs/dbraw/zinc/52/63/21/721526321.db2.gz RSKITCGAZXEYKB-QRVBRYPASA-N 2 1 414.941 2.039 20 0 HEADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000745618191 1078560978 /nfs/dbraw/zinc/56/09/78/1078560978.db2.gz VLSZYOLGSOOVRS-GOSISDBHSA-N 2 1 411.591 2.055 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1ccnc1C ZINC000745734174 1078620551 /nfs/dbraw/zinc/62/05/51/1078620551.db2.gz KWLIPJKQHUVHDZ-FQEVSTJZSA-N 2 1 413.570 2.133 20 0 HEADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000745734174 1078620557 /nfs/dbraw/zinc/62/05/57/1078620557.db2.gz KWLIPJKQHUVHDZ-FQEVSTJZSA-N 3 1 413.570 2.133 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000745734174 1078620564 /nfs/dbraw/zinc/62/05/64/1078620564.db2.gz KWLIPJKQHUVHDZ-FQEVSTJZSA-N 3 1 413.570 2.133 20 0 HEADMP COc1ccc(CN2CC[C@@H]([NH+]3CCN(CC4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC001168952029 1079085203 /nfs/dbraw/zinc/08/52/03/1079085203.db2.gz BYBSBGVASNHXEV-JOCHJYFZSA-N 2 1 414.594 2.146 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CO[C@]3(C1)COCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169093565 1079127046 /nfs/dbraw/zinc/12/70/46/1079127046.db2.gz IOBBDIMLKHETQT-MRSOFBGISA-N 2 1 409.571 2.244 20 0 HEADMP Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC001169133346 1079152133 /nfs/dbraw/zinc/15/21/33/1079152133.db2.gz DQNNWGMKMNQHNH-ACDBMABISA-N 2 1 409.582 2.145 20 0 HEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138206 1079155272 /nfs/dbraw/zinc/15/52/72/1079155272.db2.gz GLDAKABHROOWJK-AHJNKEMKSA-N 2 1 403.592 2.289 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138206 1079155276 /nfs/dbraw/zinc/15/52/76/1079155276.db2.gz GLDAKABHROOWJK-AHJNKEMKSA-N 2 1 403.592 2.289 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138206 1079155281 /nfs/dbraw/zinc/15/52/81/1079155281.db2.gz GLDAKABHROOWJK-AHJNKEMKSA-N 2 1 403.592 2.289 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138206 1079155285 /nfs/dbraw/zinc/15/52/85/1079155285.db2.gz GLDAKABHROOWJK-AHJNKEMKSA-N 2 1 403.592 2.289 20 0 HEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138209 1079155774 /nfs/dbraw/zinc/15/57/74/1079155774.db2.gz GLDAKABHROOWJK-MNVIUDHYSA-N 2 1 403.592 2.289 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138209 1079155776 /nfs/dbraw/zinc/15/57/76/1079155776.db2.gz GLDAKABHROOWJK-MNVIUDHYSA-N 2 1 403.592 2.289 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138209 1079155781 /nfs/dbraw/zinc/15/57/81/1079155781.db2.gz GLDAKABHROOWJK-MNVIUDHYSA-N 2 1 403.592 2.289 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C1)C2 ZINC001169138209 1079155785 /nfs/dbraw/zinc/15/57/85/1079155785.db2.gz GLDAKABHROOWJK-MNVIUDHYSA-N 2 1 403.592 2.289 20 0 HEADMP CN(C)C(=O)c1cc2c(nc1N(CC1CC1)[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC[NH2+]CC2 ZINC001169139462 1079156240 /nfs/dbraw/zinc/15/62/40/1079156240.db2.gz NCOYBHBPEOJHAS-ACDBMABISA-N 2 1 411.594 2.313 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC3(C[C@H](COC)N(C(=O)c4cccn4C)C3)CC2)CC1 ZINC001169253287 1079212682 /nfs/dbraw/zinc/21/26/82/1079212682.db2.gz BEDJCIUSRASFHL-HXUWFJFHSA-N 2 1 402.583 2.453 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)CC1 ZINC001169254052 1079213124 /nfs/dbraw/zinc/21/31/24/1079213124.db2.gz PAIJAVJTUCNGJA-UHFFFAOYSA-N 2 1 405.612 2.044 20 0 HEADMP C[N@@H+]([C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C1CCC([NH3+])CC1 ZINC001170023567 1079221944 /nfs/dbraw/zinc/22/19/44/1079221944.db2.gz ZNUWHHNGIQVOAW-GQGLESIBSA-N 2 1 412.600 2.099 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CO1 ZINC001169397950 1079270266 /nfs/dbraw/zinc/27/02/66/1079270266.db2.gz OPWFMXQCFHYPMZ-AANPDWTMSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CO1 ZINC001169397950 1079270277 /nfs/dbraw/zinc/27/02/77/1079270277.db2.gz OPWFMXQCFHYPMZ-AANPDWTMSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CO1 ZINC001169397950 1079270283 /nfs/dbraw/zinc/27/02/83/1079270283.db2.gz OPWFMXQCFHYPMZ-AANPDWTMSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CO1 ZINC001169397950 1079270295 /nfs/dbraw/zinc/27/02/95/1079270295.db2.gz OPWFMXQCFHYPMZ-AANPDWTMSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CO1 ZINC001169399295 1079272520 /nfs/dbraw/zinc/27/25/20/1079272520.db2.gz VYIWVNXUDVRYNP-SYAJIYQZSA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CO1 ZINC001169399295 1079272527 /nfs/dbraw/zinc/27/25/27/1079272527.db2.gz VYIWVNXUDVRYNP-SYAJIYQZSA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CO1 ZINC001169399295 1079272534 /nfs/dbraw/zinc/27/25/34/1079272534.db2.gz VYIWVNXUDVRYNP-SYAJIYQZSA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CO1 ZINC001169399295 1079272544 /nfs/dbraw/zinc/27/25/44/1079272544.db2.gz VYIWVNXUDVRYNP-SYAJIYQZSA-N 2 1 404.555 2.167 20 0 HEADMP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)nn2)CC[NH2+]1 ZINC001169511938 1079318316 /nfs/dbraw/zinc/31/83/16/1079318316.db2.gz KQQOEWCNMCGIGN-SLYNCCJLSA-N 2 1 424.549 2.146 20 0 HEADMP CCOC(=O)N1CC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000771394558 1079320479 /nfs/dbraw/zinc/32/04/79/1079320479.db2.gz XBTGYFRMCIPBGD-LJQANCHMSA-N 2 1 423.602 2.055 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605617 1079343186 /nfs/dbraw/zinc/34/31/86/1079343186.db2.gz LCQWWGWHGFZKCI-YADHBBJMSA-N 2 1 400.567 2.395 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)CC1 ZINC001169691213 1079372111 /nfs/dbraw/zinc/37/21/11/1079372111.db2.gz GBXZYNWBQJLRQZ-IBGZPJMESA-N 2 1 419.570 2.302 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)CC1 ZINC001169691213 1079372115 /nfs/dbraw/zinc/37/21/15/1079372115.db2.gz GBXZYNWBQJLRQZ-IBGZPJMESA-N 2 1 419.570 2.302 20 0 HEADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCCN(C(=O)c3ccccc3)C1)CC2 ZINC001169772251 1079406604 /nfs/dbraw/zinc/40/66/04/1079406604.db2.gz RGGJYSTXQBYDRF-QFIPXVFZSA-N 2 1 422.573 2.115 20 0 HEADMP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000738067233 1075957544 /nfs/dbraw/zinc/95/75/44/1075957544.db2.gz IPYYBRPPOLYDQT-UHFFFAOYSA-N 2 1 400.523 2.379 20 0 HEADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000738067233 1075957551 /nfs/dbraw/zinc/95/75/51/1075957551.db2.gz IPYYBRPPOLYDQT-UHFFFAOYSA-N 2 1 400.523 2.379 20 0 HEADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC2)C1 ZINC000738215385 1075974876 /nfs/dbraw/zinc/97/48/76/1075974876.db2.gz UOORFEOQPPCODB-MRXNPFEDSA-N 2 1 419.367 2.433 20 0 HEADMP C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000739088056 1076042727 /nfs/dbraw/zinc/04/27/27/1076042727.db2.gz MHDNFJFOBNWXJA-KRWDZBQOSA-N 2 1 415.582 2.002 20 0 HEADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)CC1 ZINC000741783480 1076625801 /nfs/dbraw/zinc/62/58/01/1076625801.db2.gz AXRXSPSBAFHZQY-OAQYLSRUSA-N 2 1 414.550 2.278 20 0 HEADMP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000737464384 1076858930 /nfs/dbraw/zinc/85/89/30/1076858930.db2.gz YAYMBKQVIRSOEQ-IBGZPJMESA-N 2 1 419.639 2.108 20 0 HEADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000743593172 1077073894 /nfs/dbraw/zinc/07/38/94/1077073894.db2.gz ATNGQUWANOPCTN-YPAWHYETSA-N 2 1 400.567 2.403 20 0 HEADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000743593172 1077073899 /nfs/dbraw/zinc/07/38/99/1077073899.db2.gz ATNGQUWANOPCTN-YPAWHYETSA-N 2 1 400.567 2.403 20 0 HEADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000743593172 1077073905 /nfs/dbraw/zinc/07/39/05/1077073905.db2.gz ATNGQUWANOPCTN-YPAWHYETSA-N 2 1 400.567 2.403 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000745362814 1077814755 /nfs/dbraw/zinc/81/47/55/1077814755.db2.gz UAMCYKWAISBEDB-NRFANRHFSA-N 2 1 415.582 2.371 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761373 1079514566 /nfs/dbraw/zinc/51/45/66/1079514566.db2.gz LBJVMVXRSLIEQH-RBUKOAKNSA-N 2 1 404.555 2.347 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761373 1079514576 /nfs/dbraw/zinc/51/45/76/1079514576.db2.gz LBJVMVXRSLIEQH-RBUKOAKNSA-N 2 1 404.555 2.347 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000767081516 1079653194 /nfs/dbraw/zinc/65/31/94/1079653194.db2.gz QQECFAHURKGQIK-ZDUSSCGKSA-N 2 1 409.383 2.425 20 0 HEADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000772581931 1079942060 /nfs/dbraw/zinc/94/20/60/1079942060.db2.gz WFWSJIARJPSSEI-LJQANCHMSA-N 2 1 407.580 2.488 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000772581931 1079942073 /nfs/dbraw/zinc/94/20/73/1079942073.db2.gz WFWSJIARJPSSEI-LJQANCHMSA-N 2 1 407.580 2.488 20 0 HEADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CNC(=O)OC(C)(C)C)C3CCCC3)cn2)CC1 ZINC000767740301 1080059926 /nfs/dbraw/zinc/05/99/26/1080059926.db2.gz MKWWKPBCNRURGA-LJQANCHMSA-N 2 1 418.586 2.402 20 0 HEADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCC2CCCCC2)CC[N@H+]1C ZINC001109305014 1080588206 /nfs/dbraw/zinc/58/82/06/1080588206.db2.gz BTCQFHOQCCZJKX-JFHUYLGKSA-N 2 1 404.599 2.135 20 0 HEADMP C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000768765396 1080753131 /nfs/dbraw/zinc/75/31/31/1080753131.db2.gz DMRFHEQMRNRXJY-WMZHIEFXSA-N 2 1 408.546 2.260 20 0 HEADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000768765396 1080753141 /nfs/dbraw/zinc/75/31/41/1080753141.db2.gz DMRFHEQMRNRXJY-WMZHIEFXSA-N 2 1 408.546 2.260 20 0 HEADMP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000769512146 1081103118 /nfs/dbraw/zinc/10/31/18/1081103118.db2.gz JJIKEQPNXCZDTK-QUCCMNQESA-N 2 1 412.619 2.264 20 0 HEADMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000769533793 1081113220 /nfs/dbraw/zinc/11/32/20/1081113220.db2.gz QAWJDMQHIQSRJJ-IBGZPJMESA-N 2 1 408.587 2.262 20 0 HEADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC(F)(C[NH3+])CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164391654 718813009 /nfs/dbraw/zinc/81/30/09/718813009.db2.gz GVZCUFJHCVKVKW-MRXNPFEDSA-N 2 1 421.561 2.148 20 0 HEADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164434588 718971088 /nfs/dbraw/zinc/97/10/88/718971088.db2.gz UFCAIWGDUPNRIT-RTBURBONSA-N 2 1 412.456 2.197 20 0 HEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164841713 720671488 /nfs/dbraw/zinc/67/14/88/720671488.db2.gz PRTMUDGMSRCJBI-NRFANRHFSA-N 2 1 422.577 2.146 20 0 HEADMP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(N2CCCC2)[nH+]1 ZINC001164743464 720813135 /nfs/dbraw/zinc/81/31/35/720813135.db2.gz GCECZVJZXUYKSV-QHAWAJNXSA-N 2 1 422.581 2.356 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164743464 720813137 /nfs/dbraw/zinc/81/31/37/720813137.db2.gz GCECZVJZXUYKSV-QHAWAJNXSA-N 2 1 422.581 2.356 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164743464 720813139 /nfs/dbraw/zinc/81/31/39/720813139.db2.gz GCECZVJZXUYKSV-QHAWAJNXSA-N 2 1 422.581 2.356 20 0 HEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)C[NH2+]C4)C3)c1 ZINC001164757425 720888981 /nfs/dbraw/zinc/88/89/81/720888981.db2.gz UOTCAJCRKLESHT-XUZZJYLKSA-N 2 1 420.561 2.230 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164771621 721103328 /nfs/dbraw/zinc/10/33/28/721103328.db2.gz SHCZYLYSWLEFHG-ZWKOTPCHSA-N 2 1 415.973 2.289 20 0 HEADMP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896771 721439656 /nfs/dbraw/zinc/43/96/56/721439656.db2.gz RZBLRZMJTJAQDQ-VWNXMTODSA-N 2 1 413.610 2.441 20 0 HEADMP C[N@H+](Cc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1)C1CC1 ZINC001164896771 721439658 /nfs/dbraw/zinc/43/96/58/721439658.db2.gz RZBLRZMJTJAQDQ-VWNXMTODSA-N 2 1 413.610 2.441 20 0 HEADMP C[N@@H+](Cc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1)C1CC1 ZINC001164896771 721439660 /nfs/dbraw/zinc/43/96/60/721439660.db2.gz RZBLRZMJTJAQDQ-VWNXMTODSA-N 2 1 413.610 2.441 20 0 HEADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164896820 721510075 /nfs/dbraw/zinc/51/00/75/721510075.db2.gz BNNLAWPZOVWMPT-GDBMZVCRSA-N 2 1 403.889 2.257 20 0 HEADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164911025 721554974 /nfs/dbraw/zinc/55/49/74/721554974.db2.gz YCJXIHUWDQHFML-PXNSSMCTSA-N 2 1 413.497 2.088 20 0 HEADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001165026041 721817518 /nfs/dbraw/zinc/81/75/18/721817518.db2.gz OWLLMWIETTXTCF-HLAWJBBLSA-N 2 1 408.550 2.445 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001165026041 721817522 /nfs/dbraw/zinc/81/75/22/721817522.db2.gz OWLLMWIETTXTCF-HLAWJBBLSA-N 2 1 408.550 2.445 20 0 HEADMP O=C(c1cccnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)N1CC[NH2+]CC1 ZINC001164956164 722019415 /nfs/dbraw/zinc/01/94/15/722019415.db2.gz XIOAQQDJQIAACO-UHFFFAOYSA-N 2 1 420.561 2.015 20 0 HEADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865468 1079057660 /nfs/dbraw/zinc/05/76/60/1079057660.db2.gz MRPNEPZLHSDNPU-PJVZLEMVSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865468 1079057664 /nfs/dbraw/zinc/05/76/64/1079057664.db2.gz MRPNEPZLHSDNPU-PJVZLEMVSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865468 1079057667 /nfs/dbraw/zinc/05/76/67/1079057667.db2.gz MRPNEPZLHSDNPU-PJVZLEMVSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865468 1079057672 /nfs/dbraw/zinc/05/76/72/1079057672.db2.gz MRPNEPZLHSDNPU-PJVZLEMVSA-N 2 1 404.559 2.071 20 0 HEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H](C)C1 ZINC000766561989 1079096078 /nfs/dbraw/zinc/09/60/78/1079096078.db2.gz GNKHHISRKPQQTP-GDBMZVCRSA-N 2 1 415.522 2.027 20 0 HEADMP CN1CC2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)COc2ccccc2S1(=O)=O ZINC001169129913 1079150632 /nfs/dbraw/zinc/15/06/32/1079150632.db2.gz LUJHDXLQOKTMKY-BWTSREIZSA-N 2 1 419.591 2.407 20 0 HEADMP Cc1nc(CN2CCN(C)C3(CC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)C2=O)cs1 ZINC001169133736 1079152111 /nfs/dbraw/zinc/15/21/11/1079152111.db2.gz JKMDCHJXFXZMEA-ACDBMABISA-N 2 1 417.623 2.185 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C1)C2 ZINC001169141227 1079163537 /nfs/dbraw/zinc/16/35/37/1079163537.db2.gz VWIZWOVXFHUZQR-UOKSHHMNSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C1)C2 ZINC001169141227 1079163539 /nfs/dbraw/zinc/16/35/39/1079163539.db2.gz VWIZWOVXFHUZQR-UOKSHHMNSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C1)C2 ZINC001169141227 1079163542 /nfs/dbraw/zinc/16/35/42/1079163542.db2.gz VWIZWOVXFHUZQR-UOKSHHMNSA-N 2 1 412.578 2.093 20 0 HEADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC001169175603 1079189915 /nfs/dbraw/zinc/18/99/15/1079189915.db2.gz LAUDNZUHJMDDGC-UHFFFAOYSA-N 2 1 407.518 2.231 20 0 HEADMP CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC001169224311 1079202037 /nfs/dbraw/zinc/20/20/37/1079202037.db2.gz IOHWDIGYCHOGCG-BDTNDASRSA-N 2 1 423.598 2.401 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CO1 ZINC001169391983 1079262441 /nfs/dbraw/zinc/26/24/41/1079262441.db2.gz MJHIEZPQUWHMAF-RTWAWAEBSA-N 2 1 417.550 2.107 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CO1 ZINC001169399292 1079272458 /nfs/dbraw/zinc/27/24/58/1079272458.db2.gz VYIWVNXUDVRYNP-CRSSMBPESA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CO1 ZINC001169399292 1079272465 /nfs/dbraw/zinc/27/24/65/1079272465.db2.gz VYIWVNXUDVRYNP-CRSSMBPESA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CO1 ZINC001169399292 1079272472 /nfs/dbraw/zinc/27/24/72/1079272472.db2.gz VYIWVNXUDVRYNP-CRSSMBPESA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CO1 ZINC001169399292 1079272481 /nfs/dbraw/zinc/27/24/81/1079272481.db2.gz VYIWVNXUDVRYNP-CRSSMBPESA-N 2 1 404.555 2.167 20 0 HEADMP CCN(CC)C(=O)C[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001169468089 1079308511 /nfs/dbraw/zinc/30/85/11/1079308511.db2.gz UDXZLMJLEMCLGG-NRDMVMEKSA-N 2 1 402.587 2.100 20 0 HEADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001169468089 1079308516 /nfs/dbraw/zinc/30/85/16/1079308516.db2.gz UDXZLMJLEMCLGG-NRDMVMEKSA-N 2 1 402.587 2.100 20 0 HEADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001169468089 1079308524 /nfs/dbraw/zinc/30/85/24/1079308524.db2.gz UDXZLMJLEMCLGG-NRDMVMEKSA-N 2 1 402.587 2.100 20 0 HEADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001169468089 1079308534 /nfs/dbraw/zinc/30/85/34/1079308534.db2.gz UDXZLMJLEMCLGG-NRDMVMEKSA-N 2 1 402.587 2.100 20 0 HEADMP C[C@@H]1CN(c2ccc(N[C@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)nn2)CC[NH2+]1 ZINC001169511937 1079318412 /nfs/dbraw/zinc/31/84/12/1079318412.db2.gz KQQOEWCNMCGIGN-QFUCXCTJSA-N 2 1 424.549 2.146 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)CC1 ZINC001169695178 1079375862 /nfs/dbraw/zinc/37/58/62/1079375862.db2.gz UINMRMDXZLTQEG-SFHVURJKSA-N 2 1 407.559 2.178 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)CC1 ZINC001169695461 1079376249 /nfs/dbraw/zinc/37/62/49/1079376249.db2.gz YXTPATSLQFSPES-LJQANCHMSA-N 2 1 419.570 2.300 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)CC1 ZINC001169695461 1079376253 /nfs/dbraw/zinc/37/62/53/1079376253.db2.gz YXTPATSLQFSPES-LJQANCHMSA-N 2 1 419.570 2.300 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)CC1 ZINC001169695461 1079376256 /nfs/dbraw/zinc/37/62/56/1079376256.db2.gz YXTPATSLQFSPES-LJQANCHMSA-N 2 1 419.570 2.300 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)CC1 ZINC001169695461 1079376262 /nfs/dbraw/zinc/37/62/62/1079376262.db2.gz YXTPATSLQFSPES-LJQANCHMSA-N 2 1 419.570 2.300 20 0 HEADMP CCN1CC[NH+](CCC(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000738549151 1076000996 /nfs/dbraw/zinc/00/09/96/1076000996.db2.gz ORHZBYKDTFMLCY-UHFFFAOYSA-N 2 1 401.599 2.431 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cn1 ZINC000743549485 1077067185 /nfs/dbraw/zinc/06/71/85/1077067185.db2.gz XHVPOEAMWDRWOX-UHFFFAOYSA-N 2 1 404.518 2.474 20 0 HEADMP CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000745023215 1077708365 /nfs/dbraw/zinc/70/83/65/1077708365.db2.gz ZELNPYDFIQLKSO-HXUWFJFHSA-N 2 1 401.551 2.431 20 0 HEADMP COC(=O)/C=C\c1ccc(OCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000767332030 1079808434 /nfs/dbraw/zinc/80/84/34/1079808434.db2.gz MQUFNGJZASDXMW-FMFLMLBUSA-N 2 1 413.562 2.494 20 0 HEADMP COC(=O)/C=C\c1ccc(OCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000767332030 1079808435 /nfs/dbraw/zinc/80/84/35/1079808435.db2.gz MQUFNGJZASDXMW-FMFLMLBUSA-N 2 1 413.562 2.494 20 0 HEADMP COC(=O)/C=C/c1ccc(OCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000767332029 1079808468 /nfs/dbraw/zinc/80/84/68/1079808468.db2.gz MQUFNGJZASDXMW-DTZDTAHDSA-N 2 1 413.562 2.494 20 0 HEADMP COC(=O)/C=C/c1ccc(OCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000767332029 1079808472 /nfs/dbraw/zinc/80/84/72/1079808472.db2.gz MQUFNGJZASDXMW-DTZDTAHDSA-N 2 1 413.562 2.494 20 0 HEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363266 1079830268 /nfs/dbraw/zinc/83/02/68/1079830268.db2.gz JARATYHBGGHWJW-RTBURBONSA-N 2 1 408.587 2.262 20 0 HEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363266 1079830272 /nfs/dbraw/zinc/83/02/72/1079830272.db2.gz JARATYHBGGHWJW-RTBURBONSA-N 2 1 408.587 2.262 20 0 HEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363266 1079830279 /nfs/dbraw/zinc/83/02/79/1079830279.db2.gz JARATYHBGGHWJW-RTBURBONSA-N 2 1 408.587 2.262 20 0 HEADMP C[C@@]1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000785517852 1080031428 /nfs/dbraw/zinc/03/14/28/1080031428.db2.gz QSHATJJGENXHGV-QHCPKHFHSA-N 2 1 400.567 2.007 20 0 HEADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000769391978 1081050421 /nfs/dbraw/zinc/05/04/21/1081050421.db2.gz DWBWSOMSKBRXOR-VQTJNVASSA-N 2 1 416.566 2.483 20 0 HEADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000769385122 1081059623 /nfs/dbraw/zinc/05/96/23/1081059623.db2.gz PVLUROUDSFMIBK-IBGZPJMESA-N 2 1 402.539 2.173 20 0 HEADMP O=C(COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000787227597 1081078746 /nfs/dbraw/zinc/07/87/46/1081078746.db2.gz RJQAGTZGQQNQLQ-UHFFFAOYSA-N 2 1 419.432 2.105 20 0 HEADMP CC(C)(C)C(=O)Nc1ccnc(N2CCC(F)(C[NH3+])CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164391652 718812919 /nfs/dbraw/zinc/81/29/19/718812919.db2.gz GVZCUFJHCVKVKW-INIZCTEOSA-N 2 1 421.561 2.148 20 0 HEADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164434587 718970838 /nfs/dbraw/zinc/97/08/38/718970838.db2.gz UFCAIWGDUPNRIT-RBUKOAKNSA-N 2 1 412.456 2.197 20 0 HEADMP COC(=O)c1c(Cl)cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164680156 719634515 /nfs/dbraw/zinc/63/45/15/719634515.db2.gz QIMPVPLGLACKTF-UHFFFAOYSA-N 2 1 407.902 2.202 20 0 HEADMP COC(=O)c1c(Cl)cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164680156 719634521 /nfs/dbraw/zinc/63/45/21/719634521.db2.gz QIMPVPLGLACKTF-UHFFFAOYSA-N 2 1 407.902 2.202 20 0 HEADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cncc(N4CC[NH2+]CC4)n2)CC3)cs1 ZINC001164693006 719809905 /nfs/dbraw/zinc/80/99/05/719809905.db2.gz OVUMHYOMYVOWKH-UHFFFAOYSA-N 2 1 413.595 2.286 20 0 HEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164813733 720189101 /nfs/dbraw/zinc/18/91/01/720189101.db2.gz DVTZIRAWRJCKCR-NZQKXSOJSA-N 2 1 415.582 2.040 20 0 HEADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001164825465 720327109 /nfs/dbraw/zinc/32/71/09/720327109.db2.gz FGWYMURSZICHFL-PMACEKPBSA-N 2 1 412.582 2.378 20 0 HEADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001164821776 720336198 /nfs/dbraw/zinc/33/61/98/720336198.db2.gz BWLHMKDGMPIHTQ-UXHICEINSA-N 2 1 412.582 2.378 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836522 720518112 /nfs/dbraw/zinc/51/81/12/720518112.db2.gz MVWNZFXOKNFVQK-TXPKVOOTSA-N 2 1 415.973 2.350 20 0 HEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164838230 720660287 /nfs/dbraw/zinc/66/02/87/720660287.db2.gz GLWRNLVVJUREKY-HXUWFJFHSA-N 2 1 407.562 2.425 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164766712 721241328 /nfs/dbraw/zinc/24/13/28/721241328.db2.gz VIGCHDIDCLBXEV-LEWJYISDSA-N 2 1 410.566 2.152 20 0 HEADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164791319 721496006 /nfs/dbraw/zinc/49/60/06/721496006.db2.gz AKJCIEREEWSDHD-UHFFFAOYSA-N 2 1 407.566 2.162 20 0 HEADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164899649 721517989 /nfs/dbraw/zinc/51/79/89/721517989.db2.gz LLDKKVALOYPQLT-HOCLYGCPSA-N 2 1 403.889 2.257 20 0 HEADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001165026038 721817326 /nfs/dbraw/zinc/81/73/26/721817326.db2.gz OWLLMWIETTXTCF-CEWLAPEOSA-N 2 1 408.550 2.445 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001165026038 721817329 /nfs/dbraw/zinc/81/73/29/721817329.db2.gz OWLLMWIETTXTCF-CEWLAPEOSA-N 2 1 408.550 2.445 20 0 HEADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001165026047 721817732 /nfs/dbraw/zinc/81/77/32/721817732.db2.gz OWLLMWIETTXTCF-SESVDKBCSA-N 2 1 408.550 2.445 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001165026047 721817733 /nfs/dbraw/zinc/81/77/33/721817733.db2.gz OWLLMWIETTXTCF-SESVDKBCSA-N 2 1 408.550 2.445 20 0 HEADMP C[NH+](C)[C@@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)C1 ZINC001165036497 721894087 /nfs/dbraw/zinc/89/40/87/721894087.db2.gz RVNZSZMCNWEHHZ-ZWKOTPCHSA-N 2 1 417.598 2.411 20 0 HEADMP C[NH+]1CCN(c2nccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164960547 722023364 /nfs/dbraw/zinc/02/33/64/722023364.db2.gz KCWTWBNXVLXJEJ-UHFFFAOYSA-N 2 1 407.566 2.116 20 0 HEADMP C[NH+]1CCN(c2nccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164960547 722023368 /nfs/dbraw/zinc/02/33/68/722023368.db2.gz KCWTWBNXVLXJEJ-UHFFFAOYSA-N 2 1 407.566 2.116 20 0 HEADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000769759686 1078544163 /nfs/dbraw/zinc/54/41/63/1078544163.db2.gz JEMSZXWVRYFELJ-IBGZPJMESA-N 2 1 403.640 2.141 20 0 HEADMP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000746502871 1078847855 /nfs/dbraw/zinc/84/78/55/1078847855.db2.gz LTEPRPMAFBIBPY-WMZHIEFXSA-N 2 1 412.534 2.031 20 0 HEADMP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000746502871 1078847859 /nfs/dbraw/zinc/84/78/59/1078847859.db2.gz LTEPRPMAFBIBPY-WMZHIEFXSA-N 2 1 412.534 2.031 20 0 HEADMP O=C1N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000746502871 1078847863 /nfs/dbraw/zinc/84/78/63/1078847863.db2.gz LTEPRPMAFBIBPY-WMZHIEFXSA-N 2 1 412.534 2.031 20 0 HEADMP O=C1N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000746502871 1078847866 /nfs/dbraw/zinc/84/78/66/1078847866.db2.gz LTEPRPMAFBIBPY-WMZHIEFXSA-N 2 1 412.534 2.031 20 0 HEADMP COC(=O)C1(C)CCC([N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)CC1 ZINC001168782102 1078904888 /nfs/dbraw/zinc/90/48/88/1078904888.db2.gz KUBZGCJIVNKEMT-UHFFFAOYSA-N 2 1 404.555 2.411 20 0 HEADMP COC(=O)C1(C)CCC([NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)CC1 ZINC001168782102 1078904896 /nfs/dbraw/zinc/90/48/96/1078904896.db2.gz KUBZGCJIVNKEMT-UHFFFAOYSA-N 2 1 404.555 2.411 20 0 HEADMP COC(=O)C1(C)CCC([NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)CC1 ZINC001168782102 1078904899 /nfs/dbraw/zinc/90/48/99/1078904899.db2.gz KUBZGCJIVNKEMT-UHFFFAOYSA-N 2 1 404.555 2.411 20 0 HEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770682269 1078932000 /nfs/dbraw/zinc/93/20/00/1078932000.db2.gz MUTSVNTYBVJNDE-LJQANCHMSA-N 2 1 423.517 2.431 20 0 HEADMP O=C(C[N@@H+]1CC[C@@H](CO)C1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000746461992 1079014785 /nfs/dbraw/zinc/01/47/85/1079014785.db2.gz IZEFEZBYKHUAKJ-OAQYLSRUSA-N 2 1 408.546 2.262 20 0 HEADMP COc1ccc(CN2CC[C@@H]([NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)CC2=O)cc1 ZINC001168934823 1079078877 /nfs/dbraw/zinc/07/88/77/1079078877.db2.gz JPNMNQHMLOAYLB-GOSISDBHSA-N 2 1 400.523 2.316 20 0 HEADMP CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169129895 1079150711 /nfs/dbraw/zinc/15/07/11/1079150711.db2.gz LLOLEULNSREDMY-NYLIBXOJSA-N 2 1 407.555 2.485 20 0 HEADMP CCOC(=O)[C@H]1C[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169129895 1079150714 /nfs/dbraw/zinc/15/07/14/1079150714.db2.gz LLOLEULNSREDMY-NYLIBXOJSA-N 2 1 407.555 2.485 20 0 HEADMP CCOC(=O)[C@H]1C[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169129895 1079150716 /nfs/dbraw/zinc/15/07/16/1079150716.db2.gz LLOLEULNSREDMY-NYLIBXOJSA-N 2 1 407.555 2.485 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131812 1079151441 /nfs/dbraw/zinc/15/14/41/1079151441.db2.gz ZTSFIOHPQDODEV-ACDBMABISA-N 2 1 420.598 2.403 20 0 HEADMP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170021682 1079154602 /nfs/dbraw/zinc/15/46/02/1079154602.db2.gz IVFMLGNJDRUPJW-AEFFLSMTSA-N 2 1 424.611 2.114 20 0 HEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C1)C2 ZINC001169138207 1079155833 /nfs/dbraw/zinc/15/58/33/1079155833.db2.gz GLDAKABHROOWJK-CDJZJNNCSA-N 2 1 403.592 2.289 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C1)C2 ZINC001169138207 1079155837 /nfs/dbraw/zinc/15/58/37/1079155837.db2.gz GLDAKABHROOWJK-CDJZJNNCSA-N 2 1 403.592 2.289 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C1)C2 ZINC001169138207 1079155843 /nfs/dbraw/zinc/15/58/43/1079155843.db2.gz GLDAKABHROOWJK-CDJZJNNCSA-N 2 1 403.592 2.289 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C1)C2 ZINC001169138207 1079155847 /nfs/dbraw/zinc/15/58/47/1079155847.db2.gz GLDAKABHROOWJK-CDJZJNNCSA-N 2 1 403.592 2.289 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)c2ccccc12 ZINC001169113224 1079160913 /nfs/dbraw/zinc/16/09/13/1079160913.db2.gz NQZRSQNPWYELHX-NPMXOYFQSA-N 2 1 418.501 2.183 20 0 HEADMP C[C@H]([NH3+])c1ccn(-c2nc(C[N@H+]3CC[C@@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229990 1079204156 /nfs/dbraw/zinc/20/41/56/1079204156.db2.gz NEPFHQZMDJFMKB-LSDHHAIUSA-N 2 1 400.527 2.086 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CO1 ZINC001169387710 1079258131 /nfs/dbraw/zinc/25/81/31/1079258131.db2.gz OJASOQMEFONFHB-BJLQDIEVSA-N 2 1 406.523 2.446 20 0 HEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001169554159 1079330571 /nfs/dbraw/zinc/33/05/71/1079330571.db2.gz HWWRVTXIWHYIFR-XQBPLPMBSA-N 2 1 413.603 2.475 20 0 HEADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169606313 1079343054 /nfs/dbraw/zinc/34/30/54/1079343054.db2.gz RMRGZDAGEQATBF-RBUKOAKNSA-N 2 1 406.596 2.457 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169606313 1079343062 /nfs/dbraw/zinc/34/30/62/1079343062.db2.gz RMRGZDAGEQATBF-RBUKOAKNSA-N 2 1 406.596 2.457 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605609 1079343199 /nfs/dbraw/zinc/34/31/99/1079343199.db2.gz LCQWWGWHGFZKCI-FGZHOGPDSA-N 2 1 400.567 2.395 20 0 HEADMP CCc1nc2ccccc2n1C1CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000771625926 1079409158 /nfs/dbraw/zinc/40/91/58/1079409158.db2.gz IUIBXQRANYEQQW-UHFFFAOYSA-N 2 1 424.549 2.209 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+]([C@@H]4CCCC5(C4)OCCO5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001169945871 1079488305 /nfs/dbraw/zinc/48/83/05/1079488305.db2.gz PZTGZZWKUALIGA-CGXNFDGLSA-N 2 1 401.555 2.139 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+]([C@@H]4CCCC5(C4)OCCO5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001169945871 1079488310 /nfs/dbraw/zinc/48/83/10/1079488310.db2.gz PZTGZZWKUALIGA-CGXNFDGLSA-N 2 1 401.555 2.139 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3C[N@@H+]([C@@H]4CCCC5(C4)OCCO5)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001169945871 1079488318 /nfs/dbraw/zinc/48/83/18/1079488318.db2.gz PZTGZZWKUALIGA-CGXNFDGLSA-N 2 1 401.555 2.139 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3C[N@H+]([C@@H]4CCCC5(C4)OCCO5)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001169945871 1079488325 /nfs/dbraw/zinc/48/83/25/1079488325.db2.gz PZTGZZWKUALIGA-CGXNFDGLSA-N 2 1 401.555 2.139 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741403965 1076511791 /nfs/dbraw/zinc/51/17/91/1076511791.db2.gz IDIDGZRZNABTIR-QHCPKHFHSA-N 2 1 420.517 2.012 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741403965 1076511801 /nfs/dbraw/zinc/51/18/01/1076511801.db2.gz IDIDGZRZNABTIR-QHCPKHFHSA-N 2 1 420.517 2.012 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)N(C)CC[N@@H+](C)C3CCN(C)CC3)cc2)CC1 ZINC000743077304 1076945374 /nfs/dbraw/zinc/94/53/74/1076945374.db2.gz CFPKNJDFBDBNRJ-UHFFFAOYSA-N 2 1 416.614 2.318 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCN(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000743077304 1076945391 /nfs/dbraw/zinc/94/53/91/1076945391.db2.gz CFPKNJDFBDBNRJ-UHFFFAOYSA-N 2 1 416.614 2.318 20 0 HEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)c2C1 ZINC000743945023 1077240345 /nfs/dbraw/zinc/24/03/45/1077240345.db2.gz RPVFRFUZJDQKAG-LJQANCHMSA-N 2 1 414.550 2.110 20 0 HEADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)c2C1 ZINC000743945023 1077240348 /nfs/dbraw/zinc/24/03/48/1077240348.db2.gz RPVFRFUZJDQKAG-LJQANCHMSA-N 2 1 414.550 2.110 20 0 HEADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000743932211 1077258112 /nfs/dbraw/zinc/25/81/12/1077258112.db2.gz UYQGTOMRDNCRGM-FXAWDEMLSA-N 2 1 415.582 2.002 20 0 HEADMP CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000745088401 1077725367 /nfs/dbraw/zinc/72/53/67/1077725367.db2.gz NKTWPNJVRSYFHB-JBACZVJFSA-N 2 1 401.551 2.429 20 0 HEADMP CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000745088401 1077725376 /nfs/dbraw/zinc/72/53/76/1077725376.db2.gz NKTWPNJVRSYFHB-JBACZVJFSA-N 2 1 401.551 2.429 20 0 HEADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990489 1079550908 /nfs/dbraw/zinc/55/09/08/1079550908.db2.gz SMKSPLVCIIDAMI-GDBMZVCRSA-N 2 1 404.580 2.471 20 0 HEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990489 1079550913 /nfs/dbraw/zinc/55/09/13/1079550913.db2.gz SMKSPLVCIIDAMI-GDBMZVCRSA-N 2 1 404.580 2.471 20 0 HEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990489 1079550923 /nfs/dbraw/zinc/55/09/23/1079550923.db2.gz SMKSPLVCIIDAMI-GDBMZVCRSA-N 2 1 404.580 2.471 20 0 HEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990489 1079550939 /nfs/dbraw/zinc/55/09/39/1079550939.db2.gz SMKSPLVCIIDAMI-GDBMZVCRSA-N 2 1 404.580 2.471 20 0 HEADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000766972422 1079567082 /nfs/dbraw/zinc/56/70/82/1079567082.db2.gz BLERBCKIKZGBCX-UHFFFAOYSA-N 2 1 401.573 2.100 20 0 HEADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000766972422 1079567093 /nfs/dbraw/zinc/56/70/93/1079567093.db2.gz BLERBCKIKZGBCX-UHFFFAOYSA-N 2 1 401.573 2.100 20 0 HEADMP COC(=O)C1=C(C[N@H+](C)CCCn2cc[nH+]c2C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000767448992 1079875475 /nfs/dbraw/zinc/87/54/75/1079875475.db2.gz JZJRTUFNEIEEHW-HXUWFJFHSA-N 2 1 411.506 2.337 20 0 HEADMP COC(=O)C1=C(C[N@@H+](C)CCCn2cc[nH+]c2C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000767448992 1079875478 /nfs/dbraw/zinc/87/54/78/1079875478.db2.gz JZJRTUFNEIEEHW-HXUWFJFHSA-N 2 1 411.506 2.337 20 0 HEADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000785519605 1080032726 /nfs/dbraw/zinc/03/27/26/1080032726.db2.gz HJQCBYUGPLNKJX-XMMPIXPASA-N 2 1 414.594 2.253 20 0 HEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768215903 1080417716 /nfs/dbraw/zinc/41/77/16/1080417716.db2.gz DIZIDSVKMUJUOU-UNMCSNQZSA-N 2 1 418.582 2.030 20 0 HEADMP C[N@H+](CCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000769143581 1080958241 /nfs/dbraw/zinc/95/82/41/1080958241.db2.gz NKNDSUNNMXOPDQ-UHFFFAOYSA-N 2 1 404.555 2.224 20 0 HEADMP C[N@@H+](CCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000769143581 1080958252 /nfs/dbraw/zinc/95/82/52/1080958252.db2.gz NKNDSUNNMXOPDQ-UHFFFAOYSA-N 2 1 404.555 2.224 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCOC4(CCOCC4)CC3)cc2)CC1 ZINC000769228596 1081009108 /nfs/dbraw/zinc/00/91/08/1081009108.db2.gz CVJCQZMLILBMTD-UHFFFAOYSA-N 2 1 416.566 2.039 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCOC4(CCOCC4)CC3)cc2)CC1 ZINC000769228596 1081009119 /nfs/dbraw/zinc/00/91/19/1081009119.db2.gz CVJCQZMLILBMTD-UHFFFAOYSA-N 2 1 416.566 2.039 20 0 HEADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000769385274 1081060032 /nfs/dbraw/zinc/06/00/32/1081060032.db2.gz PVLUROUDSFMIBK-LJQANCHMSA-N 2 1 402.539 2.173 20 0 HEADMP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000769512145 1081103077 /nfs/dbraw/zinc/10/30/77/1081103077.db2.gz JJIKEQPNXCZDTK-ICSRJNTNSA-N 2 1 412.619 2.264 20 0 HEADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164408676 718853365 /nfs/dbraw/zinc/85/33/65/718853365.db2.gz SEWHEJQBECYUPE-HRAATJIYSA-N 2 1 401.580 2.312 20 0 HEADMP c1ccc(C[N@H+]2CCc3nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)ccc3C2)cc1 ZINC001164422833 718913695 /nfs/dbraw/zinc/91/36/95/718913695.db2.gz BMSPDNAKTRMXCX-XMMPIXPASA-N 2 1 408.546 2.225 20 0 HEADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)cc1 ZINC001164628035 719093717 /nfs/dbraw/zinc/09/37/17/719093717.db2.gz LVDUZOGLLKTTQM-UGKGYDQZSA-N 2 1 420.561 2.017 20 0 HEADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)cc1 ZINC001164628035 719093725 /nfs/dbraw/zinc/09/37/25/719093725.db2.gz LVDUZOGLLKTTQM-UGKGYDQZSA-N 2 1 420.561 2.017 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(N(C)C)nc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164680182 719650359 /nfs/dbraw/zinc/65/03/59/719650359.db2.gz RSMSJILMXJJOGD-UHFFFAOYSA-N 2 1 413.904 2.476 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(N(C)C)nc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164680182 719650365 /nfs/dbraw/zinc/65/03/65/719650365.db2.gz RSMSJILMXJJOGD-UHFFFAOYSA-N 2 1 413.904 2.476 20 0 HEADMP CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc(N2CCOCC2)[nH+]1 ZINC001164811764 720141503 /nfs/dbraw/zinc/14/15/03/720141503.db2.gz NECARCXXWDAMPN-XXBNENTESA-N 2 1 415.582 2.060 20 0 HEADMP CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc(N2CCOCC2)[nH+]1 ZINC001164811764 720141509 /nfs/dbraw/zinc/14/15/09/720141509.db2.gz NECARCXXWDAMPN-XXBNENTESA-N 2 1 415.582 2.060 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164715732 720157494 /nfs/dbraw/zinc/15/74/94/720157494.db2.gz WHIZVPYABGMRKL-OAQYLSRUSA-N 2 1 422.577 2.374 20 0 HEADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742705 720808199 /nfs/dbraw/zinc/80/81/99/720808199.db2.gz DBVZOLRNIKPAAB-XUVXKRRUSA-N 2 1 410.570 2.212 20 0 HEADMP c1cn(-c2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)cn1 ZINC001164753527 720853279 /nfs/dbraw/zinc/85/32/79/720853279.db2.gz XBTPHIFTCWPJBV-SESVDKBCSA-N 2 1 404.522 2.238 20 0 HEADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)C[NH2+]C4)C3)c1 ZINC001164757424 720889190 /nfs/dbraw/zinc/88/91/90/720889190.db2.gz UOTCAJCRKLESHT-URXFXBBRSA-N 2 1 420.561 2.230 20 0 HEADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898270 721433059 /nfs/dbraw/zinc/43/30/59/721433059.db2.gz VNVRRFZHSMOBSX-UPVQGACJSA-N 2 1 413.610 2.443 20 0 HEADMP FC1(F)CCN(c2cc(C3C[NH2+]C3)ncn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910573 721738789 /nfs/dbraw/zinc/73/87/89/721738789.db2.gz GJIIPSQLQQEAII-HXUWFJFHSA-N 2 1 400.477 2.296 20 0 HEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncnc5c4CC[NH2+]CC5)CC3)C2)cc1 ZINC001164937907 721920240 /nfs/dbraw/zinc/92/02/40/721920240.db2.gz HFEXDIZUNFHQPN-UHFFFAOYSA-N 2 1 407.562 2.345 20 0 HEADMP C[C@H](CCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000770172049 1078768297 /nfs/dbraw/zinc/76/82/97/1078768297.db2.gz MSJGQIUKGMFUTI-SGNDLWITSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CCN1CCC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000770172049 1078768310 /nfs/dbraw/zinc/76/83/10/1078768310.db2.gz MSJGQIUKGMFUTI-SGNDLWITSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CCN1CCC[NH+](C[C@@H]2CCCO2)CC1)[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000770172049 1078768320 /nfs/dbraw/zinc/76/83/20/1078768320.db2.gz MSJGQIUKGMFUTI-SGNDLWITSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770172049 1078768331 /nfs/dbraw/zinc/76/83/31/1078768331.db2.gz MSJGQIUKGMFUTI-SGNDLWITSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770172049 1078768340 /nfs/dbraw/zinc/76/83/40/1078768340.db2.gz MSJGQIUKGMFUTI-SGNDLWITSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[NH+]1CCCN(C[C@@H]2CCCO2)CC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000770172049 1078768350 /nfs/dbraw/zinc/76/83/50/1078768350.db2.gz MSJGQIUKGMFUTI-SGNDLWITSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[NH+]1CCCN(C[C@@H]2CCCO2)CC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000770172049 1078768370 /nfs/dbraw/zinc/76/83/70/1078768370.db2.gz MSJGQIUKGMFUTI-SGNDLWITSA-N 2 1 422.658 2.138 20 0 HEADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC(C)(C(=O)OC)CC1)CCC2 ZINC001168781765 1078903789 /nfs/dbraw/zinc/90/37/89/1078903789.db2.gz GCQAHXICMVMMQX-UHFFFAOYSA-N 2 1 404.555 2.413 20 0 HEADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H](C)C1 ZINC000766561990 1079096098 /nfs/dbraw/zinc/09/60/98/1079096098.db2.gz GNKHHISRKPQQTP-GOEBONIOSA-N 2 1 415.522 2.027 20 0 HEADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001169041587 1079108243 /nfs/dbraw/zinc/10/82/43/1079108243.db2.gz RYGAWRDJWBWKTB-UFYCRDLUSA-N 2 1 416.566 2.317 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129849 1079150217 /nfs/dbraw/zinc/15/02/17/1079150217.db2.gz KURLUCOJSNWRJU-JYLXEMOASA-N 2 1 409.571 2.340 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129849 1079150220 /nfs/dbraw/zinc/15/02/20/1079150220.db2.gz KURLUCOJSNWRJU-JYLXEMOASA-N 2 1 409.571 2.340 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129849 1079150226 /nfs/dbraw/zinc/15/02/26/1079150226.db2.gz KURLUCOJSNWRJU-JYLXEMOASA-N 2 1 409.571 2.340 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[NH+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131598 1079151239 /nfs/dbraw/zinc/15/12/39/1079151239.db2.gz WHBIHSIIFRPUSH-HXKBJWFLSA-N 3 1 423.605 2.111 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[N@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131598 1079151241 /nfs/dbraw/zinc/15/12/41/1079151241.db2.gz WHBIHSIIFRPUSH-HXKBJWFLSA-N 3 1 423.605 2.111 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[N@@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131598 1079151244 /nfs/dbraw/zinc/15/12/44/1079151244.db2.gz WHBIHSIIFRPUSH-HXKBJWFLSA-N 3 1 423.605 2.111 20 0 HEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[N@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131598 1079151247 /nfs/dbraw/zinc/15/12/47/1079151247.db2.gz WHBIHSIIFRPUSH-HXKBJWFLSA-N 2 1 423.605 2.111 20 0 HEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[N@@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131598 1079151248 /nfs/dbraw/zinc/15/12/48/1079151248.db2.gz WHBIHSIIFRPUSH-HXKBJWFLSA-N 2 1 423.605 2.111 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC1)C2 ZINC001169138479 1079155726 /nfs/dbraw/zinc/15/57/26/1079155726.db2.gz HHUKQIDIIGYBQQ-CEQLMSFQSA-N 2 1 410.566 2.371 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)CO1 ZINC001169384532 1079255816 /nfs/dbraw/zinc/25/58/16/1079255816.db2.gz FWKMGXPFFBSUQH-NJYVYQBISA-N 2 1 417.550 2.248 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CO1 ZINC001169396736 1079268567 /nfs/dbraw/zinc/26/85/67/1079268567.db2.gz LYKNZJMPEBWBQC-POHUPDAJSA-N 2 1 424.582 2.077 20 0 HEADMP CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001169547673 1079328706 /nfs/dbraw/zinc/32/87/06/1079328706.db2.gz DCNMLGRPOJDOMU-RBZQAINGSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001169547673 1079328710 /nfs/dbraw/zinc/32/87/10/1079328710.db2.gz DCNMLGRPOJDOMU-RBZQAINGSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001169547673 1079328713 /nfs/dbraw/zinc/32/87/13/1079328713.db2.gz DCNMLGRPOJDOMU-RBZQAINGSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001169547673 1079328716 /nfs/dbraw/zinc/32/87/16/1079328716.db2.gz DCNMLGRPOJDOMU-RBZQAINGSA-N 2 1 412.578 2.253 20 0 HEADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NCCC[NH+]1CCOCC1 ZINC000743060346 1076947706 /nfs/dbraw/zinc/94/77/06/1076947706.db2.gz BSIGYVALJUYYGM-NRFANRHFSA-N 2 1 404.624 2.427 20 0 HEADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NCCC[NH+]1CCOCC1 ZINC000743060346 1076947711 /nfs/dbraw/zinc/94/77/11/1076947711.db2.gz BSIGYVALJUYYGM-NRFANRHFSA-N 2 1 404.624 2.427 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000743557275 1077068319 /nfs/dbraw/zinc/06/83/19/1077068319.db2.gz PSEGVDYZNXYSHK-UHFFFAOYSA-N 2 1 404.518 2.474 20 0 HEADMP CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000743580227 1077072423 /nfs/dbraw/zinc/07/24/23/1077072423.db2.gz NIXKHRFKCPHYEV-IBGZPJMESA-N 2 1 403.596 2.235 20 0 HEADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000743580227 1077072427 /nfs/dbraw/zinc/07/24/27/1077072427.db2.gz NIXKHRFKCPHYEV-IBGZPJMESA-N 2 1 403.596 2.235 20 0 HEADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000743979647 1077292452 /nfs/dbraw/zinc/29/24/52/1077292452.db2.gz HXFWKBIFGMMPAM-SFHVURJKSA-N 2 1 415.582 2.004 20 0 HEADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000743980865 1077293945 /nfs/dbraw/zinc/29/39/45/1077293945.db2.gz NITYXMXWHQJLOY-INIZCTEOSA-N 2 1 421.973 2.021 20 0 HEADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@@H]21 ZINC000766990496 1079551151 /nfs/dbraw/zinc/55/11/51/1079551151.db2.gz SMKSPLVCIIDAMI-ZBFHGGJFSA-N 2 1 404.580 2.471 20 0 HEADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@@H]21 ZINC000766990496 1079551157 /nfs/dbraw/zinc/55/11/57/1079551157.db2.gz SMKSPLVCIIDAMI-ZBFHGGJFSA-N 2 1 404.580 2.471 20 0 HEADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@@H]21 ZINC000766990496 1079551167 /nfs/dbraw/zinc/55/11/67/1079551167.db2.gz SMKSPLVCIIDAMI-ZBFHGGJFSA-N 2 1 404.580 2.471 20 0 HEADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@@H]21 ZINC000766990496 1079551177 /nfs/dbraw/zinc/55/11/77/1079551177.db2.gz SMKSPLVCIIDAMI-ZBFHGGJFSA-N 2 1 404.580 2.471 20 0 HEADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000786334478 1080566572 /nfs/dbraw/zinc/56/65/72/1080566572.db2.gz QIVYVEDUUWMBAJ-DEOSSOPVSA-N 2 1 414.594 2.251 20 0 HEADMP CCC[NH+]1CCN(c2ccc(NC(=O)NCC[N@@H+](CC)CCO)cc2Cl)CC1 ZINC000769233823 1081010755 /nfs/dbraw/zinc/01/07/55/1081010755.db2.gz SPJFBFBFRLVHQJ-UHFFFAOYSA-N 2 1 411.978 2.308 20 0 HEADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 ZINC001164393749 718809596 /nfs/dbraw/zinc/80/95/96/718809596.db2.gz VRSSKGDBIBSWMD-UHFFFAOYSA-N 2 1 416.595 2.208 20 0 HEADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC001164628027 719094300 /nfs/dbraw/zinc/09/43/00/719094300.db2.gz LVDUZOGLLKTTQM-DENIHFKCSA-N 2 1 420.561 2.017 20 0 HEADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC001164628027 719094307 /nfs/dbraw/zinc/09/43/07/719094307.db2.gz LVDUZOGLLKTTQM-DENIHFKCSA-N 2 1 420.561 2.017 20 0 HEADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)[C@H]3C2)cc1 ZINC001164628029 719094516 /nfs/dbraw/zinc/09/45/16/719094516.db2.gz LVDUZOGLLKTTQM-KNQAVFIVSA-N 2 1 420.561 2.017 20 0 HEADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)[C@H]3C2)cc1 ZINC001164628029 719094524 /nfs/dbraw/zinc/09/45/24/719094524.db2.gz LVDUZOGLLKTTQM-KNQAVFIVSA-N 2 1 420.561 2.017 20 0 HEADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164651210 719317014 /nfs/dbraw/zinc/31/70/14/719317014.db2.gz IFNCTJGPYDRWBJ-UHFFFAOYSA-N 2 1 413.570 2.257 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc(C3CC[NH2+]CC3)n2)c2c1CC[NH2+]C2 ZINC001164683001 719615743 /nfs/dbraw/zinc/61/57/43/719615743.db2.gz GWOQUWWVHKFOGW-UHFFFAOYSA-N 3 1 403.962 2.269 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc(C3CC[NH2+]CC3)n2)c2c1CC[NH2+]C2 ZINC001164683001 719615755 /nfs/dbraw/zinc/61/57/55/719615755.db2.gz GWOQUWWVHKFOGW-UHFFFAOYSA-N 3 1 403.962 2.269 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)c2c1CC[NH2+]C2 ZINC001164681544 719618436 /nfs/dbraw/zinc/61/84/36/719618436.db2.gz HSCPHWJHQPFWKP-UHFFFAOYSA-N 2 1 419.533 2.034 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)c2c1CC[NH2+]C2 ZINC001164681544 719618437 /nfs/dbraw/zinc/61/84/37/719618437.db2.gz HSCPHWJHQPFWKP-UHFFFAOYSA-N 2 1 419.533 2.034 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2ncn3-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164679830 719646918 /nfs/dbraw/zinc/64/69/18/719646918.db2.gz OOOMCQRBRGGJQH-UHFFFAOYSA-N 2 1 402.506 2.487 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2ncn3-c2ccccc2)c2c1CC[NH2+]C2 ZINC001164679830 719646930 /nfs/dbraw/zinc/64/69/30/719646930.db2.gz OOOMCQRBRGGJQH-UHFFFAOYSA-N 2 1 402.506 2.487 20 0 HEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c12 ZINC001164805943 720088056 /nfs/dbraw/zinc/08/80/56/720088056.db2.gz BFRNWYIPUCGBPH-OPAMFIHVSA-N 2 1 413.522 2.319 20 0 HEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c12 ZINC001164805943 720088066 /nfs/dbraw/zinc/08/80/66/720088066.db2.gz BFRNWYIPUCGBPH-OPAMFIHVSA-N 2 1 413.522 2.319 20 0 HEADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001164825467 720327469 /nfs/dbraw/zinc/32/74/69/720327469.db2.gz FGWYMURSZICHFL-VQTJNVASSA-N 2 1 412.582 2.378 20 0 HEADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001164821774 720336124 /nfs/dbraw/zinc/33/61/24/720336124.db2.gz BWLHMKDGMPIHTQ-PMACEKPBSA-N 2 1 412.582 2.378 20 0 HEADMP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(N2CCCC2)[nH+]1 ZINC001164743458 720813283 /nfs/dbraw/zinc/81/32/83/720813283.db2.gz GCECZVJZXUYKSV-NJDAHSKKSA-N 2 1 422.581 2.356 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164743458 720813284 /nfs/dbraw/zinc/81/32/84/720813284.db2.gz GCECZVJZXUYKSV-NJDAHSKKSA-N 2 1 422.581 2.356 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164743458 720813285 /nfs/dbraw/zinc/81/32/85/720813285.db2.gz GCECZVJZXUYKSV-NJDAHSKKSA-N 2 1 422.581 2.356 20 0 HEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743099 720846046 /nfs/dbraw/zinc/84/60/46/720846046.db2.gz IOKQYXKQEMTFOS-PCCBWWKXSA-N 2 1 422.581 2.438 20 0 HEADMP c1ncn(C[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743099 720846048 /nfs/dbraw/zinc/84/60/48/720846048.db2.gz IOKQYXKQEMTFOS-PCCBWWKXSA-N 2 1 422.581 2.438 20 0 HEADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872276 721124746 /nfs/dbraw/zinc/12/47/46/721124746.db2.gz HGBIMODPFRILAN-FCHUYYIVSA-N 2 1 423.561 2.431 20 0 HEADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH+]cc21 ZINC001164766084 721188470 /nfs/dbraw/zinc/18/84/70/721188470.db2.gz IWMZGNGEPAWOEQ-SJORKVTESA-N 2 1 408.506 2.431 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800914 721568528 /nfs/dbraw/zinc/56/85/28/721568528.db2.gz FUVQZLVNXLVKLE-YPAWHYETSA-N 2 1 408.550 2.207 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164800914 721568530 /nfs/dbraw/zinc/56/85/30/721568530.db2.gz FUVQZLVNXLVKLE-YPAWHYETSA-N 2 1 408.550 2.207 20 0 HEADMP FC1(F)CCN(c2ncnc3c2CC[NH2+]CC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906154 721584370 /nfs/dbraw/zinc/58/43/70/721584370.db2.gz ZDKHNDOSSKDHPU-NRFANRHFSA-N 2 1 414.504 2.298 20 0 HEADMP FC1(F)CCN(c2cc(C3C[NH2+]C3)ncn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164910571 721738187 /nfs/dbraw/zinc/73/81/87/721738187.db2.gz GJIIPSQLQQEAII-FQEVSTJZSA-N 2 1 400.477 2.296 20 0 HEADMP C[N@@H+](Cc1ccc(N(Cc2ncn3c2C[NH2+]CCC3)c2ncccn2)nc1)C1CC1 ZINC001165016840 721766839 /nfs/dbraw/zinc/76/68/39/721766839.db2.gz YOOGENBUROYWOD-UHFFFAOYSA-N 2 1 404.522 2.494 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]21 ZINC001165027241 721802046 /nfs/dbraw/zinc/80/20/46/721802046.db2.gz UTBJGZYYGFSZBV-ILWGZMRPSA-N 2 1 421.593 2.360 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@H]21 ZINC001165026174 721814416 /nfs/dbraw/zinc/81/44/16/721814416.db2.gz PJFNXVUKKRWDIS-HMXCVIKNSA-N 2 1 407.566 2.018 20 0 HEADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000745615477 1078568120 /nfs/dbraw/zinc/56/81/20/1078568120.db2.gz CVVKARRWYRQTDT-MSOLQXFVSA-N 2 1 411.591 2.053 20 0 HEADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000745615477 1078568125 /nfs/dbraw/zinc/56/81/25/1078568125.db2.gz CVVKARRWYRQTDT-MSOLQXFVSA-N 2 1 411.591 2.053 20 0 HEADMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000770255732 1078814374 /nfs/dbraw/zinc/81/43/74/1078814374.db2.gz FIRXAYNWFHPZDR-UHFFFAOYSA-N 2 1 423.602 2.103 20 0 HEADMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000746414733 1078913850 /nfs/dbraw/zinc/91/38/50/1078913850.db2.gz HNHZKVRZMVCJDT-IBGZPJMESA-N 2 1 423.602 2.057 20 0 HEADMP COc1ccc(CN2CC[C@H]([NH+]3CCN(CC4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC001168952031 1079085335 /nfs/dbraw/zinc/08/53/35/1079085335.db2.gz BYBSBGVASNHXEV-QFIPXVFZSA-N 2 1 414.594 2.146 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(CO)Cc3ccc(F)cc3)CC2)CC1 ZINC001169104192 1079130595 /nfs/dbraw/zinc/13/05/95/1079130595.db2.gz QETKLOFCZXLYCB-HSZRJFAPSA-N 2 1 405.558 2.432 20 0 HEADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001169468091 1079308714 /nfs/dbraw/zinc/30/87/14/1079308714.db2.gz UDXZLMJLEMCLGG-PBASOCQRSA-N 2 1 402.587 2.100 20 0 HEADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001169468091 1079308717 /nfs/dbraw/zinc/30/87/17/1079308717.db2.gz UDXZLMJLEMCLGG-PBASOCQRSA-N 2 1 402.587 2.100 20 0 HEADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001169468091 1079308722 /nfs/dbraw/zinc/30/87/22/1079308722.db2.gz UDXZLMJLEMCLGG-PBASOCQRSA-N 2 1 402.587 2.100 20 0 HEADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001169468091 1079308724 /nfs/dbraw/zinc/30/87/24/1079308724.db2.gz UDXZLMJLEMCLGG-PBASOCQRSA-N 2 1 402.587 2.100 20 0 HEADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169609053 1079344592 /nfs/dbraw/zinc/34/45/92/1079344592.db2.gz HQHXNQAFLXZJAO-FCHUYYIVSA-N 2 1 407.599 2.227 20 0 HEADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000766799620 1079387497 /nfs/dbraw/zinc/38/74/97/1079387497.db2.gz COKDHUQZNQTBKR-JOCHJYFZSA-N 2 1 424.630 2.410 20 0 HEADMP CNC(=O)c1ccc(C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2CC2)cc1 ZINC000771753937 1079484210 /nfs/dbraw/zinc/48/42/10/1079484210.db2.gz OEAQJLDNOPVRTJ-QFIPXVFZSA-N 2 1 408.546 2.430 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738367838 1075991367 /nfs/dbraw/zinc/99/13/67/1075991367.db2.gz YXDYPNPHPCADCI-CYBMUJFWSA-N 2 1 409.383 2.425 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000738515887 1075998963 /nfs/dbraw/zinc/99/89/63/1075998963.db2.gz CNFYSWKPFVRAQM-NHCUHLMSSA-N 2 1 400.567 2.039 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(NC(=O)COC)cc1 ZINC000743091243 1076951609 /nfs/dbraw/zinc/95/16/09/1076951609.db2.gz XNRIVZSHDZTWMP-LJQANCHMSA-N 2 1 405.543 2.151 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000769044251 1080893255 /nfs/dbraw/zinc/89/32/55/1080893255.db2.gz XERMPUQSKYMRDS-IBGZPJMESA-N 2 1 404.555 2.395 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000769504597 1081099399 /nfs/dbraw/zinc/09/93/99/1081099399.db2.gz GXTCFVVSNBUQTF-RCCFBDPRSA-N 2 1 414.472 2.471 20 0 HEADMP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000769512147 1081103046 /nfs/dbraw/zinc/10/30/46/1081103046.db2.gz JJIKEQPNXCZDTK-UYAOXDASSA-N 2 1 412.619 2.264 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2)CC1 ZINC000746670257 1081105960 /nfs/dbraw/zinc/10/59/60/1081105960.db2.gz YEYVSDNMHHQCGN-OAQYLSRUSA-N 2 1 413.610 2.431 20 0 HEADMP C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164405013 718840051 /nfs/dbraw/zinc/84/00/51/718840051.db2.gz ODBVCQFFDYCFBG-MRXNPFEDSA-N 2 1 412.607 2.260 20 0 HEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164813731 720188650 /nfs/dbraw/zinc/18/86/50/720188650.db2.gz DVTZIRAWRJCKCR-NFBKMPQASA-N 2 1 415.582 2.040 20 0 HEADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164813735 720190472 /nfs/dbraw/zinc/19/04/72/720190472.db2.gz DVTZIRAWRJCKCR-OFNKIYASSA-N 2 1 415.582 2.040 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@@H]21 ZINC001164839561 720565974 /nfs/dbraw/zinc/56/59/74/720565974.db2.gz QMRVPSRSVSAULE-FSSWDIPSSA-N 2 1 423.609 2.408 20 0 HEADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741400 720713498 /nfs/dbraw/zinc/71/34/98/720713498.db2.gz SXAKCBBYLFQFNK-ZWKOTPCHSA-N 2 1 414.941 2.463 20 0 HEADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741400 720713501 /nfs/dbraw/zinc/71/35/01/720713501.db2.gz SXAKCBBYLFQFNK-ZWKOTPCHSA-N 2 1 414.941 2.463 20 0 HEADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC[C@H]2C1 ZINC001164860609 720879756 /nfs/dbraw/zinc/87/97/56/720879756.db2.gz OZGULFUTDNODOZ-HRAATJIYSA-N 2 1 401.507 2.426 20 0 HEADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC[C@H]2C1 ZINC001164860609 720879758 /nfs/dbraw/zinc/87/97/58/720879758.db2.gz OZGULFUTDNODOZ-HRAATJIYSA-N 2 1 401.507 2.426 20 0 HEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ncc4c(n2)C[NH2+]C4)C3)c1 ZINC001164757426 720888830 /nfs/dbraw/zinc/88/88/30/720888830.db2.gz UOTCAJCRKLESHT-ZJSXRUAMSA-N 2 1 420.561 2.230 20 0 HEADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872279 721126316 /nfs/dbraw/zinc/12/63/16/721126316.db2.gz HGBIMODPFRILAN-FGZHOGPDSA-N 2 1 423.561 2.431 20 0 HEADMP FC1(F)CCN(c2cc3c(nn2)CC[NH2+]C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906630 721714578 /nfs/dbraw/zinc/71/45/78/721714578.db2.gz NJIJVFJSOIYSTG-FQEVSTJZSA-N 2 1 400.477 2.255 20 0 HEADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164981805 722132599 /nfs/dbraw/zinc/13/25/99/722132599.db2.gz QMBKNQQKRCDILS-UNMCSNQZSA-N 2 1 408.550 2.066 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000745817811 1078659907 /nfs/dbraw/zinc/65/99/07/1078659907.db2.gz XRBISZQUISUKHM-LJQANCHMSA-N 2 1 411.591 2.053 20 0 HEADMP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745989152 1078721137 /nfs/dbraw/zinc/72/11/37/1078721137.db2.gz QOKNJIJCWPFHRS-HNNXBMFYSA-N 2 1 401.511 2.172 20 0 HEADMP C[C@H](CCN1CCC[N@@H+](C[C@H]2CCCO2)CC1)[NH+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000770172051 1078768579 /nfs/dbraw/zinc/76/85/79/1078768579.db2.gz MSJGQIUKGMFUTI-SMIHKQSGSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CCN1CCC[NH+](C[C@H]2CCCO2)CC1)[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000770172051 1078768589 /nfs/dbraw/zinc/76/85/89/1078768589.db2.gz MSJGQIUKGMFUTI-SMIHKQSGSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CCN1CCC[NH+](C[C@H]2CCCO2)CC1)[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000770172051 1078768592 /nfs/dbraw/zinc/76/85/92/1078768592.db2.gz MSJGQIUKGMFUTI-SMIHKQSGSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[N@@H+]1CCCN(C[C@H]2CCCO2)CC1)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770172051 1078768597 /nfs/dbraw/zinc/76/85/97/1078768597.db2.gz MSJGQIUKGMFUTI-SMIHKQSGSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[N@H+]1CCCN(C[C@H]2CCCO2)CC1)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770172051 1078768601 /nfs/dbraw/zinc/76/86/01/1078768601.db2.gz MSJGQIUKGMFUTI-SMIHKQSGSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[NH+]1CCCN(C[C@H]2CCCO2)CC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000770172051 1078768608 /nfs/dbraw/zinc/76/86/08/1078768608.db2.gz MSJGQIUKGMFUTI-SMIHKQSGSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[NH+]1CCCN(C[C@H]2CCCO2)CC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000770172051 1078768612 /nfs/dbraw/zinc/76/86/12/1078768612.db2.gz MSJGQIUKGMFUTI-SMIHKQSGSA-N 2 1 422.658 2.138 20 0 HEADMP COC(=O)C1(C)CCC([N@@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001168790529 1078987077 /nfs/dbraw/zinc/98/70/77/1078987077.db2.gz NAEOSXYYMCPZSK-UHFFFAOYSA-N 2 1 402.539 2.167 20 0 HEADMP COC(=O)C1(C)CCC([N@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001168790529 1078987090 /nfs/dbraw/zinc/98/70/90/1078987090.db2.gz NAEOSXYYMCPZSK-UHFFFAOYSA-N 2 1 402.539 2.167 20 0 HEADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804279952 1079000726 /nfs/dbraw/zinc/00/07/26/1079000726.db2.gz VLHRMOUSYMENCR-HSZRJFAPSA-N 2 1 422.573 2.345 20 0 HEADMP CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1C ZINC001168836842 1079049995 /nfs/dbraw/zinc/04/99/95/1079049995.db2.gz HAJRFBMHTVRTPY-UHFFFAOYSA-N 2 1 418.563 2.035 20 0 HEADMP CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1C ZINC001168836842 1079050000 /nfs/dbraw/zinc/05/00/00/1079050000.db2.gz HAJRFBMHTVRTPY-UHFFFAOYSA-N 2 1 418.563 2.035 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2nc(C)cc(OC3CC[NH2+]CC3)n2)c2ccccc12 ZINC001169105819 1079131704 /nfs/dbraw/zinc/13/17/04/1079131704.db2.gz JYRNVMUZXDCKBO-HSZRJFAPSA-N 2 1 423.517 2.293 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc3c(C4C[NH2+]C4)ncn3c2)c2ccccc12 ZINC001169116633 1079140792 /nfs/dbraw/zinc/14/07/92/1079140792.db2.gz YOHFKMKGKPZEAI-HSZRJFAPSA-N 2 1 403.486 2.398 20 0 HEADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc12 ZINC001169123944 1079145661 /nfs/dbraw/zinc/14/56/61/1079145661.db2.gz NNOOWSKKPSDQHR-DMUMMCEESA-N 2 1 412.534 2.362 20 0 HEADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc12 ZINC001169123944 1079145664 /nfs/dbraw/zinc/14/56/64/1079145664.db2.gz NNOOWSKKPSDQHR-DMUMMCEESA-N 3 1 412.534 2.362 20 0 HEADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc12 ZINC001169123944 1079145668 /nfs/dbraw/zinc/14/56/68/1079145668.db2.gz NNOOWSKKPSDQHR-DMUMMCEESA-N 3 1 412.534 2.362 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129854 1079150171 /nfs/dbraw/zinc/15/01/71/1079150171.db2.gz KURLUCOJSNWRJU-WEMPKCCASA-N 2 1 409.571 2.340 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129854 1079150175 /nfs/dbraw/zinc/15/01/75/1079150175.db2.gz KURLUCOJSNWRJU-WEMPKCCASA-N 2 1 409.571 2.340 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCO[C@@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129854 1079150180 /nfs/dbraw/zinc/15/01/80/1079150180.db2.gz KURLUCOJSNWRJU-WEMPKCCASA-N 2 1 409.571 2.340 20 0 HEADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169606314 1079343078 /nfs/dbraw/zinc/34/30/78/1079343078.db2.gz RMRGZDAGEQATBF-RTBURBONSA-N 2 1 406.596 2.457 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169606314 1079343088 /nfs/dbraw/zinc/34/30/88/1079343088.db2.gz RMRGZDAGEQATBF-RTBURBONSA-N 2 1 406.596 2.457 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755527 1079484682 /nfs/dbraw/zinc/48/46/82/1079484682.db2.gz FOUARNOBRXPWEV-PKOBYXMFSA-N 2 1 404.555 2.252 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755527 1079484702 /nfs/dbraw/zinc/48/47/02/1079484702.db2.gz FOUARNOBRXPWEV-PKOBYXMFSA-N 2 1 404.555 2.252 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788672 1076627889 /nfs/dbraw/zinc/62/78/89/1076627889.db2.gz YDTZWMPAZCPLQO-RXWSAZGZSA-N 2 1 409.596 2.410 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788672 1076627891 /nfs/dbraw/zinc/62/78/91/1076627891.db2.gz YDTZWMPAZCPLQO-RXWSAZGZSA-N 2 1 409.596 2.410 20 0 HEADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000743580228 1077072299 /nfs/dbraw/zinc/07/22/99/1077072299.db2.gz NIXKHRFKCPHYEV-LJQANCHMSA-N 2 1 403.596 2.235 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000743580228 1077072306 /nfs/dbraw/zinc/07/23/06/1077072306.db2.gz NIXKHRFKCPHYEV-LJQANCHMSA-N 2 1 403.596 2.235 20 0 HEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768215899 1080417796 /nfs/dbraw/zinc/41/77/96/1080417796.db2.gz DIZIDSVKMUJUOU-IRLDBZIGSA-N 2 1 418.582 2.030 20 0 HEADMP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768222183 1080427631 /nfs/dbraw/zinc/42/76/31/1080427631.db2.gz FRUKYXUZWLHVCV-AZUAARDMSA-N 2 1 410.603 2.018 20 0 HEADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000786344373 1080553028 /nfs/dbraw/zinc/55/30/28/1080553028.db2.gz OFDLSGXYDBSGIK-CYBMUJFWSA-N 2 1 411.344 2.050 20 0 HEADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000786344373 1080553035 /nfs/dbraw/zinc/55/30/35/1080553035.db2.gz OFDLSGXYDBSGIK-CYBMUJFWSA-N 2 1 411.344 2.050 20 0 HEADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000786334479 1080566937 /nfs/dbraw/zinc/56/69/37/1080566937.db2.gz QIVYVEDUUWMBAJ-XMMPIXPASA-N 2 1 414.594 2.251 20 0 HEADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000769517547 1081105631 /nfs/dbraw/zinc/10/56/31/1081105631.db2.gz OWIWKMXHTYSVRT-AQNXPRMDSA-N 2 1 410.603 2.161 20 0 HEADMP C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@H]4C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164405011 718839816 /nfs/dbraw/zinc/83/98/16/718839816.db2.gz ODBVCQFFDYCFBG-INIZCTEOSA-N 2 1 412.607 2.260 20 0 HEADMP COC(=O)c1cc2c(nc(Cl)nc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)[nH]1 ZINC001164681651 719629629 /nfs/dbraw/zinc/62/96/29/719629629.db2.gz KNFRACFWBMELBL-UHFFFAOYSA-N 2 1 417.901 2.070 20 0 HEADMP COC(=O)c1cc2c(nc(Cl)nc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)[nH]1 ZINC001164681651 719629639 /nfs/dbraw/zinc/62/96/39/719629639.db2.gz KNFRACFWBMELBL-UHFFFAOYSA-N 2 1 417.901 2.070 20 0 HEADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741393 720714606 /nfs/dbraw/zinc/71/46/06/720714606.db2.gz SXAKCBBYLFQFNK-MSOLQXFVSA-N 2 1 414.941 2.463 20 0 HEADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741393 720714618 /nfs/dbraw/zinc/71/46/18/720714618.db2.gz SXAKCBBYLFQFNK-MSOLQXFVSA-N 2 1 414.941 2.463 20 0 HEADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164750939 720957149 /nfs/dbraw/zinc/95/71/49/720957149.db2.gz MYYGFTPMQZWPTD-UHFFFAOYSA-N 2 1 423.521 2.389 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164771618 721102926 /nfs/dbraw/zinc/10/29/26/721102926.db2.gz SHCZYLYSWLEFHG-QZTJIDSGSA-N 2 1 415.973 2.289 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164771619 721103508 /nfs/dbraw/zinc/10/35/08/721103508.db2.gz SHCZYLYSWLEFHG-ROUUACIJSA-N 2 1 415.973 2.289 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000745688493 1078600300 /nfs/dbraw/zinc/60/03/00/1078600300.db2.gz RFKIWGMVIGITEI-UHFFFAOYSA-N 2 1 412.538 2.362 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000745802680 1078653403 /nfs/dbraw/zinc/65/34/03/1078653403.db2.gz UDMPUOROBONQQN-PXNSSMCTSA-N 2 1 415.582 2.324 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000745802679 1078653423 /nfs/dbraw/zinc/65/34/23/1078653423.db2.gz UDMPUOROBONQQN-FXAWDEMLSA-N 2 1 415.582 2.324 20 0 HEADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000770026191 1078693904 /nfs/dbraw/zinc/69/39/04/1078693904.db2.gz IORFXDDGHHIASU-IBGZPJMESA-N 2 1 400.567 2.500 20 0 HEADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000770770603 1078989408 /nfs/dbraw/zinc/98/94/08/1078989408.db2.gz NCCBXRSHJFGLBV-LEWJYISDSA-N 2 1 401.555 2.193 20 0 HEADMP CN(CC[N@@H+](C)C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C1CC[NH+](C)CC1 ZINC001168894481 1079063866 /nfs/dbraw/zinc/06/38/66/1079063866.db2.gz QWMCOTBYFZAFNB-NZQKXSOJSA-N 2 1 424.630 2.360 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135517 1079152735 /nfs/dbraw/zinc/15/27/35/1079152735.db2.gz YWPCQZZAACBQPJ-AJSVUVGVSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135517 1079152738 /nfs/dbraw/zinc/15/27/38/1079152738.db2.gz YWPCQZZAACBQPJ-AJSVUVGVSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135517 1079152740 /nfs/dbraw/zinc/15/27/40/1079152740.db2.gz YWPCQZZAACBQPJ-AJSVUVGVSA-N 2 1 412.578 2.093 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC1)C2 ZINC001169138480 1079155746 /nfs/dbraw/zinc/15/57/46/1079155746.db2.gz HHUKQIDIIGYBQQ-KXTWHKPSSA-N 2 1 410.566 2.371 20 0 HEADMP CC[NH+]1CCC([NH2+]C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)CC1 ZINC001169225626 1079202770 /nfs/dbraw/zinc/20/27/70/1079202770.db2.gz WNXNBPZCNRWIJN-SFHVURJKSA-N 2 1 406.502 2.061 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CO1 ZINC001169399294 1079272703 /nfs/dbraw/zinc/27/27/03/1079272703.db2.gz VYIWVNXUDVRYNP-NXNFSMPISA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CO1 ZINC001169399294 1079272712 /nfs/dbraw/zinc/27/27/12/1079272712.db2.gz VYIWVNXUDVRYNP-NXNFSMPISA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CO1 ZINC001169399294 1079272724 /nfs/dbraw/zinc/27/27/24/1079272724.db2.gz VYIWVNXUDVRYNP-NXNFSMPISA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CO1 ZINC001169399294 1079272733 /nfs/dbraw/zinc/27/27/33/1079272733.db2.gz VYIWVNXUDVRYNP-NXNFSMPISA-N 2 1 404.555 2.167 20 0 HEADMP C[C@@H]1CN(c2ccc(N[C@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)nn2)CC[NH2+]1 ZINC001169511936 1079318263 /nfs/dbraw/zinc/31/82/63/1079318263.db2.gz KQQOEWCNMCGIGN-LMNJBCLMSA-N 2 1 424.549 2.146 20 0 HEADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169606311 1079343282 /nfs/dbraw/zinc/34/32/82/1079343282.db2.gz RMRGZDAGEQATBF-MOPGFXCFSA-N 2 1 406.596 2.457 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169606311 1079343289 /nfs/dbraw/zinc/34/32/89/1079343289.db2.gz RMRGZDAGEQATBF-MOPGFXCFSA-N 2 1 406.596 2.457 20 0 HEADMP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000739088063 1076042695 /nfs/dbraw/zinc/04/26/95/1076042695.db2.gz MHDNFJFOBNWXJA-QGZVFWFLSA-N 2 1 415.582 2.002 20 0 HEADMP O=C1CN(/C=C/c2ccccc2)C(=O)N1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744442383 1077397145 /nfs/dbraw/zinc/39/71/45/1077397145.db2.gz ZAKHLAUCXYSPNB-OVCLIPMQSA-N 2 1 412.534 2.456 20 0 HEADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@@H](C)[NH+]3CCCCC3)cc2)CC1 ZINC000744796179 1077596476 /nfs/dbraw/zinc/59/64/76/1077596476.db2.gz GHYFQCDYEIMIOK-GOSISDBHSA-N 2 1 401.555 2.460 20 0 HEADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC001169989111 1080396784 /nfs/dbraw/zinc/39/67/84/1080396784.db2.gz BJIMWMYCLLDMHN-JOCHJYFZSA-N 2 1 414.594 2.079 20 0 HEADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000769148223 1080968747 /nfs/dbraw/zinc/96/87/47/1080968747.db2.gz TVTZXJFGKKWTQR-UHFFFAOYSA-N 2 1 408.587 2.452 20 0 HEADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000769517546 1081105505 /nfs/dbraw/zinc/10/55/05/1081105505.db2.gz OWIWKMXHTYSVRT-AABGKKOBSA-N 2 1 410.603 2.161 20 0 HEADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164408679 718852984 /nfs/dbraw/zinc/85/29/84/718852984.db2.gz SEWHEJQBECYUPE-KKSFZXQISA-N 2 1 401.580 2.312 20 0 HEADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c2c1C ZINC001164408677 718853037 /nfs/dbraw/zinc/85/30/37/718853037.db2.gz SEWHEJQBECYUPE-IERDGZPVSA-N 2 1 401.580 2.312 20 0 HEADMP OC[C@]12C[NH2+]C[C@@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164403809 718853769 /nfs/dbraw/zinc/85/37/69/718853769.db2.gz IWNMUBHXPGWEFV-IVZQSRNASA-N 2 1 413.591 2.184 20 0 HEADMP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164415597 718884941 /nfs/dbraw/zinc/88/49/41/718884941.db2.gz MCKQGCQYWGQFQZ-UHFFFAOYSA-N 2 1 415.545 2.330 20 0 HEADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1 ZINC001164655142 719327221 /nfs/dbraw/zinc/32/72/21/719327221.db2.gz NZLKDZACRILPDW-GOSISDBHSA-N 2 1 419.551 2.228 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3nc2N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164681620 719620892 /nfs/dbraw/zinc/62/08/92/719620892.db2.gz JHUPRMXCDUVSDQ-UHFFFAOYSA-N 2 1 421.549 2.138 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3nc2N2CCOCC2)c2c1CC[NH2+]C2 ZINC001164681620 719620898 /nfs/dbraw/zinc/62/08/98/719620898.db2.gz JHUPRMXCDUVSDQ-UHFFFAOYSA-N 2 1 421.549 2.138 20 0 HEADMP c1csc(C[N@H+]2CCOC3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2)c1 ZINC001164696906 719896095 /nfs/dbraw/zinc/89/60/95/719896095.db2.gz IGDBRAGUUUMFRD-UHFFFAOYSA-N 2 1 413.591 2.424 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164711629 720094076 /nfs/dbraw/zinc/09/40/76/720094076.db2.gz RUTDSBVNQQRSMQ-HXUWFJFHSA-N 2 1 422.577 2.067 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164712062 720102699 /nfs/dbraw/zinc/10/26/99/720102699.db2.gz UVQWAZSTOAZXGM-FQEVSTJZSA-N 2 1 408.550 2.025 20 0 HEADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001164821780 720335989 /nfs/dbraw/zinc/33/59/89/720335989.db2.gz BWLHMKDGMPIHTQ-WOJBJXKFSA-N 2 1 412.582 2.378 20 0 HEADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC[C@@H]2C1 ZINC001164860612 720880101 /nfs/dbraw/zinc/88/01/01/720880101.db2.gz OZGULFUTDNODOZ-IERDGZPVSA-N 2 1 401.507 2.426 20 0 HEADMP COCC[N@H+]1CCO[C@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC[C@@H]2C1 ZINC001164860612 720880103 /nfs/dbraw/zinc/88/01/03/720880103.db2.gz OZGULFUTDNODOZ-IERDGZPVSA-N 2 1 401.507 2.426 20 0 HEADMP COc1ccc2c(C)cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)[nH+]c2c1 ZINC001164749234 720957908 /nfs/dbraw/zinc/95/79/08/720957908.db2.gz BPIOXNRTSUTMHQ-UHFFFAOYSA-N 2 1 409.490 2.394 20 0 HEADMP c1cnn(Cc2c[nH+]c3n2CCN(c2cccc(OCC[NH+]4CCCC4)n2)CC3)c1 ZINC001164863924 721033150 /nfs/dbraw/zinc/03/31/50/721033150.db2.gz VSIZVQUUYYKLOB-UHFFFAOYSA-N 2 1 407.522 2.060 20 0 HEADMP c1cncc(CO[C@H]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872282 721125209 /nfs/dbraw/zinc/12/52/09/721125209.db2.gz HGBIMODPFRILAN-VXKWHMMOSA-N 2 1 423.561 2.431 20 0 HEADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879550 721178083 /nfs/dbraw/zinc/17/80/83/721178083.db2.gz TYXWDZQTWBKKRV-OFNKIYASSA-N 2 1 423.561 2.429 20 0 HEADMP Cc1cccc(N(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777027 721329380 /nfs/dbraw/zinc/32/93/80/721329380.db2.gz KLMRWLGVKRPGQD-NZQKXSOJSA-N 2 1 408.550 2.196 20 0 HEADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001165026045 721817310 /nfs/dbraw/zinc/81/73/10/721817310.db2.gz OWLLMWIETTXTCF-HMXCVIKNSA-N 2 1 408.550 2.445 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001165026045 721817313 /nfs/dbraw/zinc/81/73/13/721817313.db2.gz OWLLMWIETTXTCF-HMXCVIKNSA-N 2 1 408.550 2.445 20 0 HEADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164981800 722132056 /nfs/dbraw/zinc/13/20/56/722132056.db2.gz QMBKNQQKRCDILS-IRLDBZIGSA-N 2 1 408.550 2.066 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000745729645 1078618407 /nfs/dbraw/zinc/61/84/07/1078618407.db2.gz QDPIIZJKBXQWJM-FQEVSTJZSA-N 2 1 417.554 2.201 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CO[C@@]3(C1)COCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169093567 1079127206 /nfs/dbraw/zinc/12/72/06/1079127206.db2.gz IOBBDIMLKHETQT-NFSXTHTRSA-N 2 1 409.571 2.244 20 0 HEADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc12 ZINC001169123945 1079145728 /nfs/dbraw/zinc/14/57/28/1079145728.db2.gz NNOOWSKKPSDQHR-GNBUJSLZSA-N 2 1 412.534 2.362 20 0 HEADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc12 ZINC001169123945 1079145732 /nfs/dbraw/zinc/14/57/32/1079145732.db2.gz NNOOWSKKPSDQHR-GNBUJSLZSA-N 3 1 412.534 2.362 20 0 HEADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc12 ZINC001169123945 1079145738 /nfs/dbraw/zinc/14/57/38/1079145738.db2.gz NNOOWSKKPSDQHR-GNBUJSLZSA-N 3 1 412.534 2.362 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2cncc(OCC[NH+]3CCCC3)n2)c2ccccc12 ZINC001169110306 1079157760 /nfs/dbraw/zinc/15/77/60/1079157760.db2.gz DHEVHHRIOMMUQV-QHCPKHFHSA-N 2 1 423.517 2.328 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@@H]3C)CC1 ZINC001169248865 1079211583 /nfs/dbraw/zinc/21/15/83/1079211583.db2.gz CZHZBDVTPUGLIJ-LJQANCHMSA-N 2 1 400.567 2.456 20 0 HEADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CC1 ZINC001169250118 1079211946 /nfs/dbraw/zinc/21/19/46/1079211946.db2.gz NXGHVZRPGFKVLU-WEGMGINNSA-N 2 1 421.582 2.449 20 0 HEADMP CC[NH+]1CCC([N@H+]2C[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C[C@]3(C(=O)OC)C2)CC1 ZINC001169250118 1079211950 /nfs/dbraw/zinc/21/19/50/1079211950.db2.gz NXGHVZRPGFKVLU-WEGMGINNSA-N 2 1 421.582 2.449 20 0 HEADMP CCN1CCC([NH2+][C@@H](CCC[NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001169244894 1079210250 /nfs/dbraw/zinc/21/02/50/1079210250.db2.gz YDFOKFXPKAGLLS-IBGZPJMESA-N 2 1 400.523 2.221 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CO1 ZINC001169392334 1079262393 /nfs/dbraw/zinc/26/23/93/1079262393.db2.gz PTLRBKXCZMFGET-SFTDATJTSA-N 2 1 417.550 2.107 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CO1 ZINC001169396737 1079268749 /nfs/dbraw/zinc/26/87/49/1079268749.db2.gz LYKNZJMPEBWBQC-ZGJYDULXSA-N 2 1 424.582 2.077 20 0 HEADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169609056 1079344697 /nfs/dbraw/zinc/34/46/97/1079344697.db2.gz HQHXNQAFLXZJAO-YADHBBJMSA-N 2 1 407.599 2.227 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001169694988 1079375389 /nfs/dbraw/zinc/37/53/89/1079375389.db2.gz VHPWJWPPNKNZBE-QZNHQXDQSA-N 2 1 422.614 2.258 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001169694988 1079375396 /nfs/dbraw/zinc/37/53/96/1079375396.db2.gz VHPWJWPPNKNZBE-QZNHQXDQSA-N 2 1 422.614 2.258 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001169694988 1079375400 /nfs/dbraw/zinc/37/54/00/1079375400.db2.gz VHPWJWPPNKNZBE-QZNHQXDQSA-N 2 1 422.614 2.258 20 0 HEADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NCC12CC[NH+](CC1)CC2 ZINC001169794447 1079422365 /nfs/dbraw/zinc/42/23/65/1079422365.db2.gz OBPWHSFHLBSETH-KRWDZBQOSA-N 2 1 404.555 2.085 20 0 HEADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000741784990 1076626120 /nfs/dbraw/zinc/62/61/20/1076626120.db2.gz LVKMYZKJWUOJOQ-IBGZPJMESA-N 2 1 408.587 2.120 20 0 HEADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000743932213 1077257964 /nfs/dbraw/zinc/25/79/64/1077257964.db2.gz UYQGTOMRDNCRGM-XLIONFOSSA-N 2 1 415.582 2.002 20 0 HEADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000743980867 1077294092 /nfs/dbraw/zinc/29/40/92/1077294092.db2.gz NITYXMXWHQJLOY-MRXNPFEDSA-N 2 1 421.973 2.021 20 0 HEADMP Cn1nnc2c1CC[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001169994183 1080682681 /nfs/dbraw/zinc/68/26/81/1080682681.db2.gz AQWYTPLFDSBMKG-IBGZPJMESA-N 2 1 420.602 2.238 20 0 HEADMP Cn1nnc2c1CC[N@@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001169994183 1080682694 /nfs/dbraw/zinc/68/26/94/1080682694.db2.gz AQWYTPLFDSBMKG-IBGZPJMESA-N 2 1 420.602 2.238 20 0 HEADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000769120639 1080942079 /nfs/dbraw/zinc/94/20/79/1080942079.db2.gz CWGSDRDJBAPHPI-ROUUACIJSA-N 2 1 410.603 2.460 20 0 HEADMP CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769202161 1081000684 /nfs/dbraw/zinc/00/06/84/1081000684.db2.gz QSLPCRHHQAZPEP-HXUWFJFHSA-N 2 1 402.587 2.137 20 0 HEADMP CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000769202161 1081000693 /nfs/dbraw/zinc/00/06/93/1081000693.db2.gz QSLPCRHHQAZPEP-HXUWFJFHSA-N 2 1 402.587 2.137 20 0 HEADMP CC(C)(C)OC(=O)c1ccccc1OCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000769216075 1081005304 /nfs/dbraw/zinc/00/53/04/1081005304.db2.gz FZNUSXOSPSBIFU-UHFFFAOYSA-N 2 1 420.550 2.180 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000769504590 1081099449 /nfs/dbraw/zinc/09/94/49/1081099449.db2.gz GXTCFVVSNBUQTF-KZNAEPCWSA-N 2 1 414.472 2.471 20 0 HEADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164434585 718970965 /nfs/dbraw/zinc/97/09/65/718970965.db2.gz UFCAIWGDUPNRIT-MOPGFXCFSA-N 2 1 412.456 2.197 20 0 HEADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164615242 719013798 /nfs/dbraw/zinc/01/37/98/719013798.db2.gz HQASYEVHNAXMND-ILWGZMRPSA-N 2 1 406.530 2.370 20 0 HEADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164615242 719013800 /nfs/dbraw/zinc/01/38/00/719013800.db2.gz HQASYEVHNAXMND-ILWGZMRPSA-N 2 1 406.530 2.370 20 0 HEADMP CCOC(=O)c1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1OCC ZINC001164681646 719622008 /nfs/dbraw/zinc/62/20/08/719622008.db2.gz KFJURKLVCLTFGI-UHFFFAOYSA-N 2 1 401.511 2.329 20 0 HEADMP CCOC(=O)c1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1OCC ZINC001164681646 719622013 /nfs/dbraw/zinc/62/20/13/719622013.db2.gz KFJURKLVCLTFGI-UHFFFAOYSA-N 2 1 401.511 2.329 20 0 HEADMP CON(C)C(=O)c1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164682004 719625914 /nfs/dbraw/zinc/62/59/14/719625914.db2.gz KVOCFDXOOLTWBU-UHFFFAOYSA-N 2 1 406.918 2.040 20 0 HEADMP CON(C)C(=O)c1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164682004 719625923 /nfs/dbraw/zinc/62/59/23/719625923.db2.gz KVOCFDXOOLTWBU-UHFFFAOYSA-N 2 1 406.918 2.040 20 0 HEADMP CC(C)n1ccc2c1nc[nH+]c2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164713394 720193590 /nfs/dbraw/zinc/19/35/90/720193590.db2.gz BQFNGWUKLUVYQF-IBGZPJMESA-N 2 1 424.553 2.357 20 0 HEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C[NH+]3CCCC3)cn1)CCC2 ZINC001164812906 720234102 /nfs/dbraw/zinc/23/41/02/720234102.db2.gz KIOFHJIJGVGEJB-UHFFFAOYSA-N 2 1 410.566 2.485 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164836520 720517711 /nfs/dbraw/zinc/51/77/11/720517711.db2.gz MVWNZFXOKNFVQK-GJYPPUQNSA-N 2 1 415.973 2.350 20 0 HEADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164748257 720808305 /nfs/dbraw/zinc/80/83/05/720808305.db2.gz QCLMEDCZCQLHRB-QHAWAJNXSA-N 2 1 422.581 2.356 20 0 HEADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC[C@@H]2C1 ZINC001164860615 720879994 /nfs/dbraw/zinc/87/99/94/720879994.db2.gz OZGULFUTDNODOZ-IIBYNOLFSA-N 2 1 401.507 2.426 20 0 HEADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC[C@@H]2C1 ZINC001164860615 720879996 /nfs/dbraw/zinc/87/99/96/720879996.db2.gz OZGULFUTDNODOZ-IIBYNOLFSA-N 2 1 401.507 2.426 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@H]2CCCO[C@H]12 ZINC001164795700 721526620 /nfs/dbraw/zinc/52/66/20/721526620.db2.gz RSKITCGAZXEYKB-OTWHNJEPSA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@H]2CCCO[C@H]12 ZINC001164795700 721526624 /nfs/dbraw/zinc/52/66/24/721526624.db2.gz RSKITCGAZXEYKB-OTWHNJEPSA-N 2 1 414.941 2.039 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164910291 721548854 /nfs/dbraw/zinc/54/88/54/721548854.db2.gz UCPSXWXQDSHIOC-PZJWPPBQSA-N 2 1 411.525 2.490 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)[nH+]2)CC1 ZINC001164910291 721548858 /nfs/dbraw/zinc/54/88/58/721548858.db2.gz UCPSXWXQDSHIOC-PZJWPPBQSA-N 3 1 411.525 2.490 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)[nH+]2)CC1 ZINC001164910291 721548864 /nfs/dbraw/zinc/54/88/64/721548864.db2.gz UCPSXWXQDSHIOC-PZJWPPBQSA-N 3 1 411.525 2.490 20 0 HEADMP C[NH+](C)[C@@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)C1 ZINC001165036495 721893915 /nfs/dbraw/zinc/89/39/15/721893915.db2.gz RVNZSZMCNWEHHZ-QZTJIDSGSA-N 2 1 417.598 2.411 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000745802681 1078653428 /nfs/dbraw/zinc/65/34/28/1078653428.db2.gz UDMPUOROBONQQN-XLIONFOSSA-N 2 1 415.582 2.324 20 0 HEADMP O=C(/C=C(\Br)C(=O)OCC[NH+]1CCCCC1)OCC[NH+]1CCCCC1 ZINC000770419063 1078845806 /nfs/dbraw/zinc/84/58/06/1078845806.db2.gz PWAMKFJUGJLTIK-NXVVXOECSA-N 2 1 417.344 2.323 20 0 HEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@@H](C)C1 ZINC000766561991 1079096018 /nfs/dbraw/zinc/09/60/18/1079096018.db2.gz GNKHHISRKPQQTP-HOCLYGCPSA-N 2 1 415.522 2.027 20 0 HEADMP CN1CC2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)COc2ccccc2S1(=O)=O ZINC001169129914 1079150610 /nfs/dbraw/zinc/15/06/10/1079150610.db2.gz LUJHDXLQOKTMKY-REPLKXPHSA-N 2 1 419.591 2.407 20 0 HEADMP Cn1cc(-c2cnc3n2CCN(C)C32CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC001169133347 1079152060 /nfs/dbraw/zinc/15/20/60/1079152060.db2.gz DQNNWGMKMNQHNH-PMOLBWCYSA-N 2 1 409.582 2.145 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135518 1079152674 /nfs/dbraw/zinc/15/26/74/1079152674.db2.gz YWPCQZZAACBQPJ-DPVJEZKXSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135518 1079152678 /nfs/dbraw/zinc/15/26/78/1079152678.db2.gz YWPCQZZAACBQPJ-DPVJEZKXSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C1)C2 ZINC001169135518 1079152683 /nfs/dbraw/zinc/15/26/83/1079152683.db2.gz YWPCQZZAACBQPJ-DPVJEZKXSA-N 2 1 412.578 2.093 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)c2ccccc12 ZINC001169113222 1079160356 /nfs/dbraw/zinc/16/03/56/1079160356.db2.gz NQZRSQNPWYELHX-CMJOXMDJSA-N 2 1 418.501 2.183 20 0 HEADMP C[N@@H+]([C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1)C1CCC([NH3+])CC1 ZINC001170023566 1079221841 /nfs/dbraw/zinc/22/18/41/1079221841.db2.gz ZNUWHHNGIQVOAW-BACDZXNISA-N 2 1 412.600 2.099 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CO1 ZINC001169392328 1079262509 /nfs/dbraw/zinc/26/25/09/1079262509.db2.gz PTLRBKXCZMFGET-LEWJYISDSA-N 2 1 417.550 2.107 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(N2CCOC2=O)ccc1F ZINC000741685332 1076585453 /nfs/dbraw/zinc/58/54/53/1076585453.db2.gz SMBPWDSOPZKXAN-KRWDZBQOSA-N 2 1 406.502 2.270 20 0 HEADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000741784992 1076626362 /nfs/dbraw/zinc/62/63/62/1076626362.db2.gz LVKMYZKJWUOJOQ-LJQANCHMSA-N 2 1 408.587 2.120 20 0 HEADMP S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741867729 1076657856 /nfs/dbraw/zinc/65/78/56/1076657856.db2.gz YQJSCOFFCPIBGD-FQEVSTJZSA-N 2 1 402.608 2.180 20 0 HEADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2C1 ZINC000743945022 1077240115 /nfs/dbraw/zinc/24/01/15/1077240115.db2.gz RPVFRFUZJDQKAG-IBGZPJMESA-N 2 1 414.550 2.110 20 0 HEADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2C1 ZINC000743945022 1077240129 /nfs/dbraw/zinc/24/01/29/1077240129.db2.gz RPVFRFUZJDQKAG-IBGZPJMESA-N 2 1 414.550 2.110 20 0 HEADMP Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000785736948 1080209680 /nfs/dbraw/zinc/20/96/80/1080209680.db2.gz XYQHOAZQPTUTTQ-WOJBJXKFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000785736948 1080209692 /nfs/dbraw/zinc/20/96/92/1080209692.db2.gz XYQHOAZQPTUTTQ-WOJBJXKFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000767938063 1080232230 /nfs/dbraw/zinc/23/22/30/1080232230.db2.gz UHGCBDWMWJNQHI-UXHICEINSA-N 2 1 412.538 2.143 20 0 HEADMP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768222184 1080427569 /nfs/dbraw/zinc/42/75/69/1080427569.db2.gz FRUKYXUZWLHVCV-ICSRJNTNSA-N 2 1 410.603 2.018 20 0 HEADMP CC(C)N(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2)C1CCCC1 ZINC001109305444 1080588965 /nfs/dbraw/zinc/58/89/65/1080588965.db2.gz JHVBUSCXNYAYNG-JFHUYLGKSA-N 2 1 404.599 2.228 20 0 HEADMP CC(C)N(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2)C1CCCC1 ZINC001109305444 1080588974 /nfs/dbraw/zinc/58/89/74/1080588974.db2.gz JHVBUSCXNYAYNG-JFHUYLGKSA-N 2 1 404.599 2.228 20 0 HEADMP CC(C)N(C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)C1CCCC1 ZINC001109305444 1080588982 /nfs/dbraw/zinc/58/89/82/1080588982.db2.gz JHVBUSCXNYAYNG-JFHUYLGKSA-N 2 1 404.599 2.228 20 0 HEADMP CC(C)N(C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)C1CCCC1 ZINC001109305444 1080588991 /nfs/dbraw/zinc/58/89/91/1080588991.db2.gz JHVBUSCXNYAYNG-JFHUYLGKSA-N 2 1 404.599 2.228 20 0 HEADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768862780 1080843895 /nfs/dbraw/zinc/84/38/95/1080843895.db2.gz GBDFKIIYHAATDU-UHFFFAOYSA-N 2 1 404.559 2.060 20 0 HEADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768862780 1080843900 /nfs/dbraw/zinc/84/39/00/1080843900.db2.gz GBDFKIIYHAATDU-UHFFFAOYSA-N 2 1 404.559 2.060 20 0 HEADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000769391976 1081049855 /nfs/dbraw/zinc/04/98/55/1081049855.db2.gz DWBWSOMSKBRXOR-PMACEKPBSA-N 2 1 416.566 2.483 20 0 HEADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000769391977 1081050026 /nfs/dbraw/zinc/05/00/26/1081050026.db2.gz DWBWSOMSKBRXOR-UXHICEINSA-N 2 1 416.566 2.483 20 0 HEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c12 ZINC001164805942 720088832 /nfs/dbraw/zinc/08/88/32/720088832.db2.gz BFRNWYIPUCGBPH-KSFYIVLOSA-N 2 1 413.522 2.319 20 0 HEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c12 ZINC001164805942 720088841 /nfs/dbraw/zinc/08/88/41/720088841.db2.gz BFRNWYIPUCGBPH-KSFYIVLOSA-N 2 1 413.522 2.319 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164819619 720295498 /nfs/dbraw/zinc/29/54/98/720295498.db2.gz FCWSJVAFUCBRGU-WOJBJXKFSA-N 2 1 412.582 2.297 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164819618 720295923 /nfs/dbraw/zinc/29/59/23/720295923.db2.gz FCWSJVAFUCBRGU-VQTJNVASSA-N 2 1 412.582 2.297 20 0 HEADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001164825468 720327273 /nfs/dbraw/zinc/32/72/73/720327273.db2.gz FGWYMURSZICHFL-WOJBJXKFSA-N 2 1 412.582 2.378 20 0 HEADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164837278 720559545 /nfs/dbraw/zinc/55/95/45/720559545.db2.gz LOQLKHLRXQAULF-LZLYRXPVSA-N 2 1 423.521 2.319 20 0 HEADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164837278 720559553 /nfs/dbraw/zinc/55/95/53/720559553.db2.gz LOQLKHLRXQAULF-LZLYRXPVSA-N 2 1 423.521 2.319 20 0 HEADMP FC1(F)CCN(c2ncnc3c2CC[NH2+]C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904311 721692770 /nfs/dbraw/zinc/69/27/70/721692770.db2.gz FMOLLWNHFHBIDJ-FQEVSTJZSA-N 2 1 400.477 2.255 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164978095 722134773 /nfs/dbraw/zinc/13/47/73/722134773.db2.gz JVUSYVGIMWNXIJ-IFMALSPDSA-N 3 1 422.577 2.131 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164978099 722135043 /nfs/dbraw/zinc/13/50/43/722135043.db2.gz JVUSYVGIMWNXIJ-RBBKRZOGSA-N 3 1 422.577 2.131 20 0 HEADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001169041585 1079108407 /nfs/dbraw/zinc/10/84/07/1079108407.db2.gz RYGAWRDJWBWKTB-SLFFLAALSA-N 2 1 416.566 2.317 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@]3(CCC[N@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)n1 ZINC001169128642 1079147652 /nfs/dbraw/zinc/14/76/52/1079147652.db2.gz GCKBADXYOFPCED-SRYPRDQNSA-N 2 1 414.598 2.087 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@]3(CCC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)n1 ZINC001169128642 1079147654 /nfs/dbraw/zinc/14/76/54/1079147654.db2.gz GCKBADXYOFPCED-SRYPRDQNSA-N 2 1 414.598 2.087 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@]3(CCC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)n1 ZINC001169128642 1079147660 /nfs/dbraw/zinc/14/76/60/1079147660.db2.gz GCKBADXYOFPCED-SRYPRDQNSA-N 2 1 414.598 2.087 20 0 HEADMP COC(=O)[C@H](C[NH3+])Cc1ccc(-n2cc(C[C@](C)([NH3+])C(=O)OC)c3ccccc32)cc1 ZINC001169117728 1079141737 /nfs/dbraw/zinc/14/17/37/1079141737.db2.gz XMGRPLXJGPZFGE-XDHUDOTRSA-N 2 1 423.513 2.354 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCO[C@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129852 1079150297 /nfs/dbraw/zinc/15/02/97/1079150297.db2.gz KURLUCOJSNWRJU-MDPIYQRISA-N 2 1 409.571 2.340 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCO[C@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129852 1079150299 /nfs/dbraw/zinc/15/02/99/1079150299.db2.gz KURLUCOJSNWRJU-MDPIYQRISA-N 2 1 409.571 2.340 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCO[C@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129852 1079150300 /nfs/dbraw/zinc/15/03/00/1079150300.db2.gz KURLUCOJSNWRJU-MDPIYQRISA-N 2 1 409.571 2.340 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133474 1079152034 /nfs/dbraw/zinc/15/20/34/1079152034.db2.gz GVLXIMVWXRFUHP-UOKSHHMNSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133474 1079152036 /nfs/dbraw/zinc/15/20/36/1079152036.db2.gz GVLXIMVWXRFUHP-UOKSHHMNSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133474 1079152043 /nfs/dbraw/zinc/15/20/43/1079152043.db2.gz GVLXIMVWXRFUHP-UOKSHHMNSA-N 2 1 412.578 2.093 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001169114589 1079162259 /nfs/dbraw/zinc/16/22/59/1079162259.db2.gz DAKAPBHFCFCRJM-XMMPIXPASA-N 2 1 420.513 2.109 20 0 HEADMP C[C@@H]([NH3+])c1ccn(-c2nc(C[N@H+]3CC[C@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229987 1079204076 /nfs/dbraw/zinc/20/40/76/1079204076.db2.gz NEPFHQZMDJFMKB-CABCVRRESA-N 2 1 400.527 2.086 20 0 HEADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@H](Nc2cnc(O[C@H]3CC[NH2+]C3)nc2)C1 ZINC001169522004 1079322308 /nfs/dbraw/zinc/32/23/08/1079322308.db2.gz UIXNGUPRJJKNPW-YZGWKJHDSA-N 2 1 411.506 2.088 20 0 HEADMP CCOC(=O)N1CCC[C@@H](N(c2[nH+]ccn2C)[C@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001169688609 1079370116 /nfs/dbraw/zinc/37/01/16/1079370116.db2.gz YSGMVNHKQSVCCO-QZTJIDSGSA-N 2 1 405.543 2.149 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169884148 1079457810 /nfs/dbraw/zinc/45/78/10/1079457810.db2.gz YIZSMAUQDWNHRA-NYLDSWQDSA-N 2 1 421.607 2.493 20 0 HEADMP C(CC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1)CN1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000740878478 1076279058 /nfs/dbraw/zinc/27/90/58/1076279058.db2.gz IAQFIMZSEPEZRX-ZEQRLZLVSA-N 2 1 422.658 2.140 20 0 HEADMP C(CC[NH+]1CCCN(C[C@@H]2CCCO2)CC1)CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000740878478 1076279071 /nfs/dbraw/zinc/27/90/71/1076279071.db2.gz IAQFIMZSEPEZRX-ZEQRLZLVSA-N 2 1 422.658 2.140 20 0 HEADMP C(CC[NH+]1CCCN(C[C@@H]2CCCO2)CC1)CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000740878478 1076279083 /nfs/dbraw/zinc/27/90/83/1076279083.db2.gz IAQFIMZSEPEZRX-ZEQRLZLVSA-N 2 1 422.658 2.140 20 0 HEADMP C(CC[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1)C[NH+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000740878478 1076279093 /nfs/dbraw/zinc/27/90/93/1076279093.db2.gz IAQFIMZSEPEZRX-ZEQRLZLVSA-N 2 1 422.658 2.140 20 0 HEADMP C(CC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1)C[NH+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000740878478 1076279102 /nfs/dbraw/zinc/27/91/02/1076279102.db2.gz IAQFIMZSEPEZRX-ZEQRLZLVSA-N 2 1 422.658 2.140 20 0 HEADMP O=C1CCCN1C[C@@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000740877669 1076279180 /nfs/dbraw/zinc/27/91/80/1076279180.db2.gz WKPSHKCEOFSXAE-SFTDATJTSA-N 2 1 404.599 2.330 20 0 HEADMP O=C1CCCN1C[C@@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000740877669 1076279191 /nfs/dbraw/zinc/27/91/91/1076279191.db2.gz WKPSHKCEOFSXAE-SFTDATJTSA-N 2 1 404.599 2.330 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000741410056 1076513164 /nfs/dbraw/zinc/51/31/64/1076513164.db2.gz WVXXJRUOZCUDLN-QHCPKHFHSA-N 2 1 420.517 2.012 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000741410056 1076513170 /nfs/dbraw/zinc/51/31/70/1076513170.db2.gz WVXXJRUOZCUDLN-QHCPKHFHSA-N 2 1 420.517 2.012 20 0 HEADMP C[NH+](C)CC1CCN(c2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000737458737 1076696898 /nfs/dbraw/zinc/69/68/98/1076696898.db2.gz AYDAGKVWBFJVLH-UHFFFAOYSA-N 2 1 419.639 2.473 20 0 HEADMP COC(=O)/C=C\c1ccc(OCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000767330748 1079808081 /nfs/dbraw/zinc/80/80/81/1079808081.db2.gz IJPNBHHDKGREBW-CAOQBOHGSA-N 2 1 401.551 2.209 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc2)CC1 ZINC000767670259 1080018043 /nfs/dbraw/zinc/01/80/43/1080018043.db2.gz BDLCLPRTJMPHKD-UHFFFAOYSA-N 2 1 417.598 2.298 20 0 HEADMP Cc1ccc(C[NH+]2CCCN(C(=O)COC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785736933 1080209430 /nfs/dbraw/zinc/20/94/30/1080209430.db2.gz XYQHOAZQPTUTTQ-BGYRXZFFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccc(C[NH+]2CCCN(C(=O)COC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785736933 1080209448 /nfs/dbraw/zinc/20/94/48/1080209448.db2.gz XYQHOAZQPTUTTQ-BGYRXZFFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785736933 1080209472 /nfs/dbraw/zinc/20/94/72/1080209472.db2.gz XYQHOAZQPTUTTQ-BGYRXZFFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785736933 1080209490 /nfs/dbraw/zinc/20/94/90/1080209490.db2.gz XYQHOAZQPTUTTQ-BGYRXZFFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000767937852 1080232856 /nfs/dbraw/zinc/23/28/56/1080232856.db2.gz INBTZCPQGKBLEL-VQTJNVASSA-N 2 1 412.538 2.143 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000767937853 1080233047 /nfs/dbraw/zinc/23/30/47/1080233047.db2.gz INBTZCPQGKBLEL-WOJBJXKFSA-N 2 1 412.538 2.143 20 0 HEADMP C[C@@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164864 1080435285 /nfs/dbraw/zinc/43/52/85/1080435285.db2.gz BIZMKGPBYDATCX-CVEARBPZSA-N 2 1 403.527 2.417 20 0 HEADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768726577 1080756285 /nfs/dbraw/zinc/75/62/85/1080756285.db2.gz JLBBHGJAQXEGLQ-SFHVURJKSA-N 2 1 402.539 2.090 20 0 HEADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164615240 719013602 /nfs/dbraw/zinc/01/36/02/719013602.db2.gz HQASYEVHNAXMND-HJNYFJLDSA-N 2 1 406.530 2.370 20 0 HEADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164615240 719013608 /nfs/dbraw/zinc/01/36/08/719013608.db2.gz HQASYEVHNAXMND-HJNYFJLDSA-N 2 1 406.530 2.370 20 0 HEADMP O=C(c1cccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CC[NH2+]CC1 ZINC001164628999 719086521 /nfs/dbraw/zinc/08/65/21/719086521.db2.gz PQGUBVYBNLWHFE-RBBKRZOGSA-N 2 1 405.546 2.228 20 0 HEADMP O=C(c1cccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH2+]CC1 ZINC001164628998 719087034 /nfs/dbraw/zinc/08/70/34/719087034.db2.gz PQGUBVYBNLWHFE-IRLDBZIGSA-N 2 1 405.546 2.228 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(-c2ccnc(NC(=O)OC(C)(C)C)n2)c2c1CC[NH2+]C2 ZINC001164683640 719613835 /nfs/dbraw/zinc/61/38/35/719613835.db2.gz KNXIMCZGXOUDCR-UHFFFAOYSA-N 2 1 401.515 2.495 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(-c2ccnc(NC(=O)OC(C)(C)C)n2)c2c1CC[NH2+]C2 ZINC001164683640 719613839 /nfs/dbraw/zinc/61/38/39/719613839.db2.gz KNXIMCZGXOUDCR-UHFFFAOYSA-N 2 1 401.515 2.495 20 0 HEADMP CCOC(=O)c1ccc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164681554 719623816 /nfs/dbraw/zinc/62/38/16/719623816.db2.gz HXQZXHCLCGQBEU-UHFFFAOYSA-N 2 1 408.506 2.478 20 0 HEADMP CCOC(=O)c1ccc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164681554 719623825 /nfs/dbraw/zinc/62/38/25/719623825.db2.gz HXQZXHCLCGQBEU-UHFFFAOYSA-N 2 1 408.506 2.478 20 0 HEADMP COC(=O)c1c[nH]c2nc(Cl)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680670 719636424 /nfs/dbraw/zinc/63/64/24/719636424.db2.gz ZUORJKGDIGIDMD-UHFFFAOYSA-N 2 1 417.901 2.070 20 0 HEADMP COC(=O)c1c[nH]c2nc(Cl)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680670 719636427 /nfs/dbraw/zinc/63/64/27/719636427.db2.gz ZUORJKGDIGIDMD-UHFFFAOYSA-N 2 1 417.901 2.070 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc3[nH]cnc3c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164679482 719640400 /nfs/dbraw/zinc/64/04/00/719640400.db2.gz CCWSNPOHDKMEEW-UHFFFAOYSA-N 2 1 410.860 2.238 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc3[nH]cnc3c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164679482 719640407 /nfs/dbraw/zinc/64/04/07/719640407.db2.gz CCWSNPOHDKMEEW-UHFFFAOYSA-N 2 1 410.860 2.238 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)COc2cncc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164679641 719641427 /nfs/dbraw/zinc/64/14/27/719641427.db2.gz JTEKWELNJUMTIO-UHFFFAOYSA-N 2 1 400.861 2.441 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)COc2cncc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164679641 719641433 /nfs/dbraw/zinc/64/14/33/719641433.db2.gz JTEKWELNJUMTIO-UHFFFAOYSA-N 2 1 400.861 2.441 20 0 HEADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N)[nH+]cn3)CC2)c2ccccc21 ZINC001164683142 719676466 /nfs/dbraw/zinc/67/64/66/719676466.db2.gz RAGQOYNAOOGJRG-QGZVFWFLSA-N 2 1 408.550 2.152 20 0 HEADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164717437 720120483 /nfs/dbraw/zinc/12/04/83/720120483.db2.gz OZXGGKPHHDSVRL-GOSISDBHSA-N 2 1 423.517 2.315 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164717437 720120492 /nfs/dbraw/zinc/12/04/92/720120492.db2.gz OZXGGKPHHDSVRL-GOSISDBHSA-N 2 1 423.517 2.315 20 0 HEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(Cl)nc3c1CC[NH2+]C3)CCC2 ZINC001164812904 720232645 /nfs/dbraw/zinc/23/26/45/720232645.db2.gz KEYBLFZUEGRRIG-UHFFFAOYSA-N 2 1 416.957 2.188 20 0 HEADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164837285 720559225 /nfs/dbraw/zinc/55/92/25/720559225.db2.gz LOQLKHLRXQAULF-XYJFISCASA-N 2 1 423.521 2.319 20 0 HEADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164837285 720559232 /nfs/dbraw/zinc/55/92/32/720559232.db2.gz LOQLKHLRXQAULF-XYJFISCASA-N 2 1 423.521 2.319 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843568 720580202 /nfs/dbraw/zinc/58/02/02/720580202.db2.gz YFCWXLWWLSJZGI-BAGYTPMASA-N 2 1 409.582 2.066 20 0 HEADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164896830 721509935 /nfs/dbraw/zinc/50/99/35/721509935.db2.gz BNNLAWPZOVWMPT-HOCLYGCPSA-N 2 1 403.889 2.257 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164910289 721548466 /nfs/dbraw/zinc/54/84/66/721548466.db2.gz UCPSXWXQDSHIOC-FPOVZHCZSA-N 2 1 411.525 2.490 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)[nH+]2)CC1 ZINC001164910289 721548470 /nfs/dbraw/zinc/54/84/70/721548470.db2.gz UCPSXWXQDSHIOC-FPOVZHCZSA-N 3 1 411.525 2.490 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)[nH+]2)CC1 ZINC001164910289 721548474 /nfs/dbraw/zinc/54/84/74/721548474.db2.gz UCPSXWXQDSHIOC-FPOVZHCZSA-N 3 1 411.525 2.490 20 0 HEADMP C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000745615480 1078568629 /nfs/dbraw/zinc/56/86/29/1078568629.db2.gz CVVKARRWYRQTDT-ZWKOTPCHSA-N 2 1 411.591 2.053 20 0 HEADMP C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000745615480 1078568631 /nfs/dbraw/zinc/56/86/31/1078568631.db2.gz CVVKARRWYRQTDT-ZWKOTPCHSA-N 2 1 411.591 2.053 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](c4nccn4C)C3)cc2)CC1 ZINC000770037581 1078699398 /nfs/dbraw/zinc/69/93/98/1078699398.db2.gz ABLVWBYUNQROQJ-LJQANCHMSA-N 2 1 410.566 2.380 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](c4nccn4C)C3)cc2)CC1 ZINC000770037581 1078699402 /nfs/dbraw/zinc/69/94/02/1078699402.db2.gz ABLVWBYUNQROQJ-LJQANCHMSA-N 2 1 410.566 2.380 20 0 HEADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000770661605 1078923780 /nfs/dbraw/zinc/92/37/80/1078923780.db2.gz VPMZKIZMAUFAMN-UHFFFAOYSA-N 2 1 413.522 2.311 20 0 HEADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000770661605 1078923784 /nfs/dbraw/zinc/92/37/84/1078923784.db2.gz VPMZKIZMAUFAMN-UHFFFAOYSA-N 2 1 413.522 2.311 20 0 HEADMP C[NH+](C)CCCC1CC[NH+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 ZINC000766381293 1078931797 /nfs/dbraw/zinc/93/17/97/1078931797.db2.gz KNVOUHOKFKYUHO-UHFFFAOYSA-N 2 1 406.552 2.093 20 0 HEADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(-n3cc4c(n3)CC[C@@H]([NH3+])C4)c2c1C ZINC001168813042 1079044950 /nfs/dbraw/zinc/04/49/50/1079044950.db2.gz USXVBOLRXUIMAW-CYBMUJFWSA-N 2 1 414.535 2.240 20 0 HEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)[C@H](C)C1 ZINC000766561992 1079096056 /nfs/dbraw/zinc/09/60/56/1079096056.db2.gz GNKHHISRKPQQTP-ZBFHGGJFSA-N 2 1 415.522 2.027 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2cc(C3C[NH2+]C3)nc(SC)n2)c2ccccc12 ZINC001169105922 1079132554 /nfs/dbraw/zinc/13/25/54/1079132554.db2.gz MMSFBPDXQPCNNG-OAQYLSRUSA-N 2 1 411.531 2.262 20 0 HEADMP COC(=O)[C@H](C[NH3+])Cc1ccc(-n2cc(C[C@@](C)([NH3+])C(=O)OC)c3ccccc32)cc1 ZINC001169117725 1079141712 /nfs/dbraw/zinc/14/17/12/1079141712.db2.gz XMGRPLXJGPZFGE-BXKMTCNYSA-N 2 1 423.513 2.354 20 0 HEADMP CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169129896 1079150785 /nfs/dbraw/zinc/15/07/85/1079150785.db2.gz LLOLEULNSREDMY-RRQVMCLOSA-N 2 1 407.555 2.485 20 0 HEADMP CCOC(=O)[C@H]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169129896 1079150792 /nfs/dbraw/zinc/15/07/92/1079150792.db2.gz LLOLEULNSREDMY-RRQVMCLOSA-N 2 1 407.555 2.485 20 0 HEADMP CCOC(=O)[C@H]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@@H]2N1C(=O)OC(C)(C)C ZINC001169129896 1079150798 /nfs/dbraw/zinc/15/07/98/1079150798.db2.gz LLOLEULNSREDMY-RRQVMCLOSA-N 2 1 407.555 2.485 20 0 HEADMP Cc1nc(CN2CCN(C)C3(CC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)C2=O)cs1 ZINC001169133737 1079152203 /nfs/dbraw/zinc/15/22/03/1079152203.db2.gz JKMDCHJXFXZMEA-PMOLBWCYSA-N 2 1 417.623 2.185 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CO1 ZINC001169397952 1079270023 /nfs/dbraw/zinc/27/00/23/1079270023.db2.gz OPWFMXQCFHYPMZ-LLVBAIKDSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CO1 ZINC001169397952 1079270037 /nfs/dbraw/zinc/27/00/37/1079270037.db2.gz OPWFMXQCFHYPMZ-LLVBAIKDSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CO1 ZINC001169397952 1079270049 /nfs/dbraw/zinc/27/00/49/1079270049.db2.gz OPWFMXQCFHYPMZ-LLVBAIKDSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CO1 ZINC001169397952 1079270067 /nfs/dbraw/zinc/27/00/67/1079270067.db2.gz OPWFMXQCFHYPMZ-LLVBAIKDSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)C1=C(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)NC(=O)N[C@@H]1C ZINC000771451928 1079329482 /nfs/dbraw/zinc/32/94/82/1079329482.db2.gz HOGPWSVFMOIORD-MRXNPFEDSA-N 2 1 415.538 2.138 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC1 ZINC001169694188 1079374314 /nfs/dbraw/zinc/37/43/14/1079374314.db2.gz OYCKATXGTFMLSU-NJDAHSKKSA-N 2 1 420.598 2.405 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+]([C@H]4CCCC5(C4)OCCO5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001169945870 1079488127 /nfs/dbraw/zinc/48/81/27/1079488127.db2.gz PZTGZZWKUALIGA-ANULTFPQSA-N 2 1 401.555 2.139 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+]([C@H]4CCCC5(C4)OCCO5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001169945870 1079488145 /nfs/dbraw/zinc/48/81/45/1079488145.db2.gz PZTGZZWKUALIGA-ANULTFPQSA-N 2 1 401.555 2.139 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3C[N@@H+]([C@H]4CCCC5(C4)OCCO5)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001169945870 1079488150 /nfs/dbraw/zinc/48/81/50/1079488150.db2.gz PZTGZZWKUALIGA-ANULTFPQSA-N 2 1 401.555 2.139 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3C[N@H+]([C@H]4CCCC5(C4)OCCO5)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001169945870 1079488157 /nfs/dbraw/zinc/48/81/57/1079488157.db2.gz PZTGZZWKUALIGA-ANULTFPQSA-N 2 1 401.555 2.139 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@@H](C(C)C)[NH+]3CCCC3)cc2)CC1 ZINC000741012017 1076328596 /nfs/dbraw/zinc/32/85/96/1076328596.db2.gz SQOIBXKUXISHEA-JOCHJYFZSA-N 2 1 416.566 2.431 20 0 HEADMP O=C(COC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000741326779 1076477401 /nfs/dbraw/zinc/47/74/01/1076477401.db2.gz DLACISSMVAYVKF-SFHVURJKSA-N 2 1 417.525 2.324 20 0 HEADMP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CC1 ZINC000743918159 1077218029 /nfs/dbraw/zinc/21/80/29/1077218029.db2.gz ZSJULCNOZXPSOS-UHFFFAOYSA-N 2 1 421.973 2.021 20 0 HEADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768726576 1080756360 /nfs/dbraw/zinc/75/63/60/1080756360.db2.gz JLBBHGJAQXEGLQ-GOSISDBHSA-N 2 1 402.539 2.090 20 0 HEADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000769338567 1081047997 /nfs/dbraw/zinc/04/79/97/1081047997.db2.gz QHKLELZNCGORQN-IBGZPJMESA-N 2 1 408.587 2.262 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2)CC1 ZINC000746670253 1081106011 /nfs/dbraw/zinc/10/60/11/1081106011.db2.gz YEYVSDNMHHQCGN-NRFANRHFSA-N 2 1 413.610 2.431 20 0 HEADMP COC(=O)[C@H](C)c1c(Cl)ncnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680034 719651517 /nfs/dbraw/zinc/65/15/17/719651517.db2.gz CSBVAVUBFHUPCJ-GFCCVEGCSA-N 2 1 406.918 2.078 20 0 HEADMP COC(=O)[C@H](C)c1c(Cl)ncnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680034 719651521 /nfs/dbraw/zinc/65/15/21/719651521.db2.gz CSBVAVUBFHUPCJ-GFCCVEGCSA-N 2 1 406.918 2.078 20 0 HEADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc[nH+]c(N)n3)CC2)c2ccccc21 ZINC001164684163 719675326 /nfs/dbraw/zinc/67/53/26/719675326.db2.gz SLINVKRYSZKHCP-QGZVFWFLSA-N 2 1 408.550 2.152 20 0 HEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c12 ZINC001164805944 720088312 /nfs/dbraw/zinc/08/83/12/720088312.db2.gz BFRNWYIPUCGBPH-ZHRRBRCNSA-N 2 1 413.522 2.319 20 0 HEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c12 ZINC001164805944 720088320 /nfs/dbraw/zinc/08/83/20/720088320.db2.gz BFRNWYIPUCGBPH-ZHRRBRCNSA-N 2 1 413.522 2.319 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164712065 720102824 /nfs/dbraw/zinc/10/28/24/720102824.db2.gz UVQWAZSTOAZXGM-HXUWFJFHSA-N 2 1 408.550 2.025 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164711158 720104031 /nfs/dbraw/zinc/10/40/31/720104031.db2.gz OTWOQUCULPBSRM-IBGZPJMESA-N 2 1 408.550 2.025 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164710376 720128751 /nfs/dbraw/zinc/12/87/51/720128751.db2.gz ABVZIHVQXXHEPE-FQEVSTJZSA-N 2 1 408.550 2.025 20 0 HEADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164731696 720513157 /nfs/dbraw/zinc/51/31/57/720513157.db2.gz XJRNSCRWFJYWCR-HXUWFJFHSA-N 2 1 417.561 2.429 20 0 HEADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001164731696 720513162 /nfs/dbraw/zinc/51/31/62/720513162.db2.gz XJRNSCRWFJYWCR-HXUWFJFHSA-N 2 1 417.561 2.429 20 0 HEADMP [NH3+]Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757163 720882624 /nfs/dbraw/zinc/88/26/24/720882624.db2.gz TXUTWICDDSGCGI-NFBKMPQASA-N 2 1 408.550 2.085 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164762495 721182157 /nfs/dbraw/zinc/18/21/57/721182157.db2.gz CJSZNAXGWSNJOI-SFTDATJTSA-N 2 1 410.566 2.248 20 0 HEADMP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001164869863 721266966 /nfs/dbraw/zinc/26/69/66/721266966.db2.gz QZUQLWURWFWRAR-UHFFFAOYSA-N 2 1 412.534 2.250 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164798116 721571277 /nfs/dbraw/zinc/57/12/77/721571277.db2.gz ADVGIHNZWPQFMX-YZUZCNPQSA-N 2 1 422.577 2.272 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001165027242 721801921 /nfs/dbraw/zinc/80/19/21/721801921.db2.gz UTBJGZYYGFSZBV-KSEOMHKRSA-N 2 1 421.593 2.360 20 0 HEADMP C[NH+]1CCN(c2ccc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nn2)CC1 ZINC001164955055 722013551 /nfs/dbraw/zinc/01/35/51/722013551.db2.gz SARDWBWUBFETCG-UHFFFAOYSA-N 2 1 407.566 2.116 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000745729646 1078618352 /nfs/dbraw/zinc/61/83/52/1078618352.db2.gz QDPIIZJKBXQWJM-HXUWFJFHSA-N 2 1 417.554 2.201 20 0 HEADMP CCOC(=O)Nc1ccc2c(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cc(=O)oc2c1 ZINC000746464726 1079023237 /nfs/dbraw/zinc/02/32/37/1079023237.db2.gz XXNFGZGJQGYKMA-UHFFFAOYSA-N 2 1 416.522 2.431 20 0 HEADMP CN(CC[N@@H+](C)C[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C1CC[NH+](C)CC1 ZINC001168894480 1079063473 /nfs/dbraw/zinc/06/34/73/1079063473.db2.gz QWMCOTBYFZAFNB-NFBKMPQASA-N 2 1 424.630 2.360 20 0 HEADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168943704 1079081925 /nfs/dbraw/zinc/08/19/25/1079081925.db2.gz ZUNYZPDLVRWMOD-IBGZPJMESA-N 2 1 405.539 2.003 20 0 HEADMP CN(C)C(=O)CN1CC[C@]2(C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]2c2ccccc2)C1=O ZINC001169131626 1079151544 /nfs/dbraw/zinc/15/15/44/1079151544.db2.gz WOHSEQHMLRKVNC-NPKKMJAZSA-N 2 1 424.589 2.018 20 0 HEADMP CN(C)C(=O)CN1CC[C@]2(C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@H]2c2ccccc2)C1=O ZINC001169131626 1079151547 /nfs/dbraw/zinc/15/15/47/1079151547.db2.gz WOHSEQHMLRKVNC-NPKKMJAZSA-N 2 1 424.589 2.018 20 0 HEADMP CN(C)C(=O)CN1CC[C@]2(C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]2c2ccccc2)C1=O ZINC001169131626 1079151550 /nfs/dbraw/zinc/15/15/50/1079151550.db2.gz WOHSEQHMLRKVNC-NPKKMJAZSA-N 2 1 424.589 2.018 20 0 HEADMP C[C@@H]([NH3+])c1ccn(-c2nc(C[N@H+]3CC[C@@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229989 1079204182 /nfs/dbraw/zinc/20/41/82/1079204182.db2.gz NEPFHQZMDJFMKB-HUUCEWRRSA-N 2 1 400.527 2.086 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CO1 ZINC001169392330 1079262232 /nfs/dbraw/zinc/26/22/32/1079262232.db2.gz PTLRBKXCZMFGET-NHCUHLMSSA-N 2 1 417.550 2.107 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CO1 ZINC001169391981 1079262359 /nfs/dbraw/zinc/26/23/59/1079262359.db2.gz MJHIEZPQUWHMAF-LEWJYISDSA-N 2 1 417.550 2.107 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CO1 ZINC001169392352 1079262481 /nfs/dbraw/zinc/26/24/81/1079262481.db2.gz PWFMWCKYOVYGHZ-LEWJYISDSA-N 2 1 402.535 2.464 20 0 HEADMP CC(=O)N1CC[C@H]([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001169536322 1079325200 /nfs/dbraw/zinc/32/52/00/1079325200.db2.gz DMRVPWOVEBSOKO-OEMFJLHTSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001169536322 1079325210 /nfs/dbraw/zinc/32/52/10/1079325210.db2.gz DMRVPWOVEBSOKO-OEMFJLHTSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)C1 ZINC001169536322 1079325219 /nfs/dbraw/zinc/32/52/19/1079325219.db2.gz DMRVPWOVEBSOKO-OEMFJLHTSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2ccccn2)C1 ZINC001169536322 1079325224 /nfs/dbraw/zinc/32/52/24/1079325224.db2.gz DMRVPWOVEBSOKO-OEMFJLHTSA-N 2 1 412.578 2.253 20 0 HEADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NCC12CC[NH+](CC1)CC2 ZINC001169794448 1079422077 /nfs/dbraw/zinc/42/20/77/1079422077.db2.gz OBPWHSFHLBSETH-QGZVFWFLSA-N 2 1 404.555 2.085 20 0 HEADMP Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]1 ZINC001169829940 1079424474 /nfs/dbraw/zinc/42/44/74/1079424474.db2.gz FOYYJKWQUSXARC-FQEVSTJZSA-N 2 1 407.518 2.399 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741403963 1076511696 /nfs/dbraw/zinc/51/16/96/1076511696.db2.gz IDIDGZRZNABTIR-HSZRJFAPSA-N 2 1 420.517 2.012 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741403963 1076511703 /nfs/dbraw/zinc/51/17/03/1076511703.db2.gz IDIDGZRZNABTIR-HSZRJFAPSA-N 2 1 420.517 2.012 20 0 HEADMP S=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000741867731 1076656547 /nfs/dbraw/zinc/65/65/47/1076656547.db2.gz YQJSCOFFCPIBGD-HXUWFJFHSA-N 2 1 402.608 2.180 20 0 HEADMP CCC[C@@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000766320009 1077442160 /nfs/dbraw/zinc/44/21/60/1077442160.db2.gz LJVNFDNGLZPQHE-LJQANCHMSA-N 2 1 403.571 2.403 20 0 HEADMP C[C@]1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000785517851 1080031331 /nfs/dbraw/zinc/03/13/31/1080031331.db2.gz QSHATJJGENXHGV-HSZRJFAPSA-N 2 1 400.567 2.007 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCC[NH+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650999 1080100274 /nfs/dbraw/zinc/10/02/74/1080100274.db2.gz GEYKXWYKFROHNA-QUCCMNQESA-N 2 1 405.514 2.134 20 0 HEADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650999 1080100287 /nfs/dbraw/zinc/10/02/87/1080100287.db2.gz GEYKXWYKFROHNA-QUCCMNQESA-N 2 1 405.514 2.134 20 0 HEADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650999 1080100309 /nfs/dbraw/zinc/10/03/09/1080100309.db2.gz GEYKXWYKFROHNA-QUCCMNQESA-N 2 1 405.514 2.134 20 0 HEADMP C[C@H]1[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164867 1080435169 /nfs/dbraw/zinc/43/51/69/1080435169.db2.gz BIZMKGPBYDATCX-JKSUJKDBSA-N 2 1 403.527 2.417 20 0 HEADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCOc2ccccc2)CC[N@H+]1C ZINC001109305148 1080588747 /nfs/dbraw/zinc/58/87/47/1080588747.db2.gz FTJBNUMXVCXENG-MPCSADPFSA-N 2 1 401.551 2.144 20 0 HEADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCOc2ccccc2)CC[NH+]1C ZINC001109305148 1080588755 /nfs/dbraw/zinc/58/87/55/1080588755.db2.gz FTJBNUMXVCXENG-MPCSADPFSA-N 2 1 401.551 2.144 20 0 HEADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCOc2ccccc2)CC[NH+]1C ZINC001109305148 1080588765 /nfs/dbraw/zinc/58/87/65/1080588765.db2.gz FTJBNUMXVCXENG-MPCSADPFSA-N 2 1 401.551 2.144 20 0 HEADMP C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000768765392 1080753210 /nfs/dbraw/zinc/75/32/10/1080753210.db2.gz DMRFHEQMRNRXJY-CVDCTZTESA-N 2 1 408.546 2.260 20 0 HEADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000768765392 1080753221 /nfs/dbraw/zinc/75/32/21/1080753221.db2.gz DMRFHEQMRNRXJY-CVDCTZTESA-N 2 1 408.546 2.260 20 0 HEADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000769120632 1080941812 /nfs/dbraw/zinc/94/18/12/1080941812.db2.gz CWGSDRDJBAPHPI-HDICACEKSA-N 2 1 410.603 2.460 20 0 HEADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000769120632 1080941821 /nfs/dbraw/zinc/94/18/21/1080941821.db2.gz CWGSDRDJBAPHPI-HDICACEKSA-N 2 1 410.603 2.460 20 0 HEADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1 ZINC001164655146 719327009 /nfs/dbraw/zinc/32/70/09/719327009.db2.gz NZLKDZACRILPDW-SFHVURJKSA-N 2 1 419.551 2.228 20 0 HEADMP COc1nc(Cl)ncc1C(F)(F)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680566 719634478 /nfs/dbraw/zinc/63/44/78/719634478.db2.gz WFXLPFGHYJYXSX-UHFFFAOYSA-N 2 1 400.861 2.419 20 0 HEADMP COc1nc(Cl)ncc1C(F)(F)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680566 719634488 /nfs/dbraw/zinc/63/44/88/719634488.db2.gz WFXLPFGHYJYXSX-UHFFFAOYSA-N 2 1 400.861 2.419 20 0 HEADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc[nH+]c(N)n3)CC2)c2ccccc21 ZINC001164684154 719675541 /nfs/dbraw/zinc/67/55/41/719675541.db2.gz SLINVKRYSZKHCP-KRWDZBQOSA-N 2 1 408.550 2.152 20 0 HEADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741396 720714246 /nfs/dbraw/zinc/71/42/46/720714246.db2.gz SXAKCBBYLFQFNK-QZTJIDSGSA-N 2 1 414.941 2.463 20 0 HEADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741396 720714262 /nfs/dbraw/zinc/71/42/62/720714262.db2.gz SXAKCBBYLFQFNK-QZTJIDSGSA-N 2 1 414.941 2.463 20 0 HEADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879548 721177347 /nfs/dbraw/zinc/17/73/47/721177347.db2.gz TYXWDZQTWBKKRV-NZQKXSOJSA-N 2 1 423.561 2.429 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3C2)cn1 ZINC001164762492 721178137 /nfs/dbraw/zinc/17/81/37/721178137.db2.gz CJSZNAXGWSNJOI-RTWAWAEBSA-N 2 1 410.566 2.248 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@H]3C2)cn1 ZINC001164766717 721242415 /nfs/dbraw/zinc/24/24/15/721242415.db2.gz VIGCHDIDCLBXEV-NHCUHLMSSA-N 2 1 410.566 2.152 20 0 HEADMP Cc1cccc(N(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164777026 721329617 /nfs/dbraw/zinc/32/96/17/721329617.db2.gz KLMRWLGVKRPGQD-NFBKMPQASA-N 2 1 408.550 2.196 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164798114 721571751 /nfs/dbraw/zinc/57/17/51/721571751.db2.gz ADVGIHNZWPQFMX-PQNGQFLHSA-N 2 1 422.577 2.272 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@H]21 ZINC001165026169 721814310 /nfs/dbraw/zinc/81/43/10/721814310.db2.gz PJFNXVUKKRWDIS-CEWLAPEOSA-N 2 1 407.566 2.018 20 0 HEADMP C[NH+](C)[C@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)C1 ZINC001165036494 721894052 /nfs/dbraw/zinc/89/40/52/721894052.db2.gz RVNZSZMCNWEHHZ-MSOLQXFVSA-N 2 1 417.598 2.411 20 0 HEADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000745988701 1078720647 /nfs/dbraw/zinc/72/06/47/1078720647.db2.gz IIRFFPDETYWJAU-UHFFFAOYSA-N 2 1 416.566 2.039 20 0 HEADMP C[C@H](CCN1CCC[N@@H+](C[C@H]2CCCO2)CC1)[NH+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000770172053 1078768465 /nfs/dbraw/zinc/76/84/65/1078768465.db2.gz MSJGQIUKGMFUTI-WXFUMESZSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CCN1CCC[NH+](C[C@H]2CCCO2)CC1)[N@@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000770172053 1078768471 /nfs/dbraw/zinc/76/84/71/1078768471.db2.gz MSJGQIUKGMFUTI-WXFUMESZSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CCN1CCC[NH+](C[C@H]2CCCO2)CC1)[N@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000770172053 1078768480 /nfs/dbraw/zinc/76/84/80/1078768480.db2.gz MSJGQIUKGMFUTI-WXFUMESZSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[N@@H+]1CCCN(C[C@H]2CCCO2)CC1)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000770172053 1078768486 /nfs/dbraw/zinc/76/84/86/1078768486.db2.gz MSJGQIUKGMFUTI-WXFUMESZSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[N@H+]1CCCN(C[C@H]2CCCO2)CC1)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000770172053 1078768493 /nfs/dbraw/zinc/76/84/93/1078768493.db2.gz MSJGQIUKGMFUTI-WXFUMESZSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[NH+]1CCCN(C[C@H]2CCCO2)CC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000770172053 1078768500 /nfs/dbraw/zinc/76/85/00/1078768500.db2.gz MSJGQIUKGMFUTI-WXFUMESZSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[NH+]1CCCN(C[C@H]2CCCO2)CC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000770172053 1078768509 /nfs/dbraw/zinc/76/85/09/1078768509.db2.gz MSJGQIUKGMFUTI-WXFUMESZSA-N 2 1 422.658 2.138 20 0 HEADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000770770604 1078989321 /nfs/dbraw/zinc/98/93/21/1078989321.db2.gz NCCBXRSHJFGLBV-NHCUHLMSSA-N 2 1 401.555 2.193 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2nc(C)cc(OC3CC[NH2+]CC3)n2)c2ccccc12 ZINC001169105820 1079131503 /nfs/dbraw/zinc/13/15/03/1079131503.db2.gz JYRNVMUZXDCKBO-QHCPKHFHSA-N 2 1 423.517 2.293 20 0 HEADMP COC(=O)[C@@H](C[NH3+])Cc1ccc(-n2cc(C[C@@](C)([NH3+])C(=O)OC)c3ccccc32)cc1 ZINC001169117726 1079141747 /nfs/dbraw/zinc/14/17/47/1079141747.db2.gz XMGRPLXJGPZFGE-MZNJEOGPSA-N 2 1 423.513 2.354 20 0 HEADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000739083926 1076040004 /nfs/dbraw/zinc/04/00/04/1076040004.db2.gz BGRRSJFSCTVOOS-UHFFFAOYSA-N 2 1 417.598 2.250 20 0 HEADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)CC1 ZINC000741783477 1076625823 /nfs/dbraw/zinc/62/58/23/1076625823.db2.gz AXRXSPSBAFHZQY-NRFANRHFSA-N 2 1 414.550 2.278 20 0 HEADMP COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000744426058 1077388339 /nfs/dbraw/zinc/38/83/39/1077388339.db2.gz OGMIGWVZYXXNRA-DBRLUCFCSA-N 2 1 417.575 2.420 20 0 HEADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744426058 1077388348 /nfs/dbraw/zinc/38/83/48/1077388348.db2.gz OGMIGWVZYXXNRA-DBRLUCFCSA-N 2 1 417.575 2.420 20 0 HEADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000744426058 1077388354 /nfs/dbraw/zinc/38/83/54/1077388354.db2.gz OGMIGWVZYXXNRA-DBRLUCFCSA-N 2 1 417.575 2.420 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000767937851 1080232298 /nfs/dbraw/zinc/23/22/98/1080232298.db2.gz INBTZCPQGKBLEL-UXHICEINSA-N 2 1 412.538 2.143 20 0 HEADMP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(Cc3ccc(F)c(F)c3)CC1)C2=O ZINC000768908571 1080849262 /nfs/dbraw/zinc/84/92/62/1080849262.db2.gz SXQSDONMRFTHTH-UHFFFAOYSA-N 2 1 406.477 2.193 20 0 HEADMP OC[C@]12C[NH2+]C[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164403812 718853574 /nfs/dbraw/zinc/85/35/74/718853574.db2.gz IWNMUBHXPGWEFV-OYHNWAKOSA-N 2 1 413.591 2.184 20 0 HEADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164434586 718971192 /nfs/dbraw/zinc/97/11/92/718971192.db2.gz UFCAIWGDUPNRIT-OALUTQOASA-N 2 1 412.456 2.197 20 0 HEADMP CC(C)N1Cc2c(nc(Cl)nc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)C1=O ZINC001164679751 719637123 /nfs/dbraw/zinc/63/71/23/719637123.db2.gz LQBFZPKTVVIRGM-UHFFFAOYSA-N 2 1 417.945 2.166 20 0 HEADMP CC(C)N1Cc2c(nc(Cl)nc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)C1=O ZINC001164679751 719637132 /nfs/dbraw/zinc/63/71/32/719637132.db2.gz LQBFZPKTVVIRGM-UHFFFAOYSA-N 2 1 417.945 2.166 20 0 HEADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001164825466 720326959 /nfs/dbraw/zinc/32/69/59/720326959.db2.gz FGWYMURSZICHFL-UXHICEINSA-N 2 1 412.582 2.378 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)CC[C@@H]21 ZINC001164839559 720566082 /nfs/dbraw/zinc/56/60/82/720566082.db2.gz QMRVPSRSVSAULE-FKBYEOEOSA-N 2 1 423.609 2.408 20 0 HEADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164748255 720807960 /nfs/dbraw/zinc/80/79/60/720807960.db2.gz QCLMEDCZCQLHRB-PWRODBHTSA-N 2 1 422.581 2.356 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743109 720845848 /nfs/dbraw/zinc/84/58/48/720845848.db2.gz IOKQYXKQEMTFOS-QHAWAJNXSA-N 2 1 422.581 2.438 20 0 HEADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743109 720845851 /nfs/dbraw/zinc/84/58/51/720845851.db2.gz IOKQYXKQEMTFOS-QHAWAJNXSA-N 2 1 422.581 2.438 20 0 HEADMP [NH3+]Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757164 720882762 /nfs/dbraw/zinc/88/27/62/720882762.db2.gz TXUTWICDDSGCGI-NZQKXSOJSA-N 2 1 408.550 2.085 20 0 HEADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH+]cc21 ZINC001164766081 721186734 /nfs/dbraw/zinc/18/67/34/721186734.db2.gz IWMZGNGEPAWOEQ-IRXDYDNUSA-N 2 1 408.506 2.431 20 0 HEADMP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896768 721439601 /nfs/dbraw/zinc/43/96/01/721439601.db2.gz RZBLRZMJTJAQDQ-UPVQGACJSA-N 2 1 413.610 2.441 20 0 HEADMP C[N@H+](Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1)C1CC1 ZINC001164896768 721439603 /nfs/dbraw/zinc/43/96/03/721439603.db2.gz RZBLRZMJTJAQDQ-UPVQGACJSA-N 2 1 413.610 2.441 20 0 HEADMP C[N@@H+](Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1)C1CC1 ZINC001164896768 721439604 /nfs/dbraw/zinc/43/96/04/721439604.db2.gz RZBLRZMJTJAQDQ-UPVQGACJSA-N 2 1 413.610 2.441 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]21 ZINC001165027243 721802072 /nfs/dbraw/zinc/80/20/72/721802072.db2.gz UTBJGZYYGFSZBV-NNWRFLSQSA-N 2 1 421.593 2.360 20 0 HEADMP [NH3+]C1CCN(c2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164955283 722020160 /nfs/dbraw/zinc/02/01/60/722020160.db2.gz DFYIIINITRWFEX-UHFFFAOYSA-N 2 1 407.566 2.292 20 0 HEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978441 722123103 /nfs/dbraw/zinc/12/31/03/722123103.db2.gz OQBUVZGLQCETND-TZIWHRDSSA-N 2 1 422.533 2.200 20 0 HEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978441 722123107 /nfs/dbraw/zinc/12/31/07/722123107.db2.gz OQBUVZGLQCETND-TZIWHRDSSA-N 2 1 422.533 2.200 20 0 HEADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000745618195 1078560567 /nfs/dbraw/zinc/56/05/67/1078560567.db2.gz VLSZYOLGSOOVRS-SFHVURJKSA-N 2 1 411.591 2.055 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000745687738 1078600779 /nfs/dbraw/zinc/60/07/79/1078600779.db2.gz LMNNVYGUCDGGTA-FQEVSTJZSA-N 2 1 413.570 2.133 20 0 HEADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000745687738 1078600788 /nfs/dbraw/zinc/60/07/88/1078600788.db2.gz LMNNVYGUCDGGTA-FQEVSTJZSA-N 3 1 413.570 2.133 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000745687738 1078600816 /nfs/dbraw/zinc/60/08/16/1078600816.db2.gz LMNNVYGUCDGGTA-FQEVSTJZSA-N 3 1 413.570 2.133 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000745852594 1078670271 /nfs/dbraw/zinc/67/02/71/1078670271.db2.gz RYATXABTHJNTKZ-LEWJYISDSA-N 2 1 415.582 2.158 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H](c4nccn4C)C3)cc2)CC1 ZINC000770037578 1078699375 /nfs/dbraw/zinc/69/93/75/1078699375.db2.gz ABLVWBYUNQROQJ-IBGZPJMESA-N 2 1 410.566 2.380 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](c4nccn4C)C3)cc2)CC1 ZINC000770037578 1078699379 /nfs/dbraw/zinc/69/93/79/1078699379.db2.gz ABLVWBYUNQROQJ-IBGZPJMESA-N 2 1 410.566 2.380 20 0 HEADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc2)CC1 ZINC000746130916 1078800532 /nfs/dbraw/zinc/80/05/32/1078800532.db2.gz ITKRXPHROREFJT-DEOSSOPVSA-N 2 1 408.546 2.404 20 0 HEADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746130916 1078800537 /nfs/dbraw/zinc/80/05/37/1078800537.db2.gz ITKRXPHROREFJT-DEOSSOPVSA-N 2 1 408.546 2.404 20 0 HEADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746130916 1078800540 /nfs/dbraw/zinc/80/05/40/1078800540.db2.gz ITKRXPHROREFJT-DEOSSOPVSA-N 2 1 408.546 2.404 20 0 HEADMP O=C(/C=C(/Br)C(=O)OCC[NH+]1CCCCC1)OCC[NH+]1CCCCC1 ZINC000770419061 1078845921 /nfs/dbraw/zinc/84/59/21/1078845921.db2.gz PWAMKFJUGJLTIK-FOCLMDBBSA-N 2 1 417.344 2.323 20 0 HEADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000770650467 1078938266 /nfs/dbraw/zinc/93/82/66/1078938266.db2.gz DJMOVXNNNCFPFW-OAQYLSRUSA-N 2 1 402.564 2.460 20 0 HEADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000770650467 1078938271 /nfs/dbraw/zinc/93/82/71/1078938271.db2.gz DJMOVXNNNCFPFW-OAQYLSRUSA-N 2 1 402.564 2.460 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(CO)Cc3ccc(F)cc3)CC2)CC1 ZINC001169104193 1079130497 /nfs/dbraw/zinc/13/04/97/1079130497.db2.gz QETKLOFCZXLYCB-QHCPKHFHSA-N 2 1 405.558 2.432 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O1)C2 ZINC001169091444 1079138737 /nfs/dbraw/zinc/13/87/37/1079138737.db2.gz RGPSGBCFLVZTKY-BMFAXAFESA-N 2 1 418.513 2.202 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(CO)Cc3ccccc3OC)CC2)CC1 ZINC001169091701 1079139238 /nfs/dbraw/zinc/13/92/38/1079139238.db2.gz BEUXSAMJQWVWJL-XMMPIXPASA-N 2 1 417.594 2.301 20 0 HEADMP CN1[C@H]2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133203 1079152164 /nfs/dbraw/zinc/15/21/64/1079152164.db2.gz CSMGRNRPJCUZOU-PJVZLEMVSA-N 2 1 405.564 2.158 20 0 HEADMP CN1[C@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133203 1079152166 /nfs/dbraw/zinc/15/21/66/1079152166.db2.gz CSMGRNRPJCUZOU-PJVZLEMVSA-N 2 1 405.564 2.158 20 0 HEADMP CN1[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133203 1079152169 /nfs/dbraw/zinc/15/21/69/1079152169.db2.gz CSMGRNRPJCUZOU-PJVZLEMVSA-N 2 1 405.564 2.158 20 0 HEADMP CN1[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133203 1079152174 /nfs/dbraw/zinc/15/21/74/1079152174.db2.gz CSMGRNRPJCUZOU-PJVZLEMVSA-N 2 1 405.564 2.158 20 0 HEADMP CN(C)C(=O)c1cc2c(nc1N(CC1CC1)[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC[NH2+]CC2 ZINC001169139463 1079156290 /nfs/dbraw/zinc/15/62/90/1079156290.db2.gz NCOYBHBPEOJHAS-PMOLBWCYSA-N 2 1 411.594 2.313 20 0 HEADMP CC[NH+]1CCC(NC(=[NH2+])NCCC[C@H](N)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC001169244896 1079210215 /nfs/dbraw/zinc/21/02/15/1079210215.db2.gz YDTIFJLLCCLBNK-NRFANRHFSA-N 2 1 410.566 2.484 20 0 HEADMP CC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169570242 1079334090 /nfs/dbraw/zinc/33/40/90/1079334090.db2.gz PMAWIPDJSHNUCY-LJQANCHMSA-N 2 1 408.587 2.451 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605613 1079343254 /nfs/dbraw/zinc/34/32/54/1079343254.db2.gz LCQWWGWHGFZKCI-VXKWHMMOSA-N 2 1 400.567 2.395 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001169694987 1079375076 /nfs/dbraw/zinc/37/50/76/1079375076.db2.gz VHPWJWPPNKNZBE-MQSCRBSSSA-N 2 1 422.614 2.258 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001169694987 1079375082 /nfs/dbraw/zinc/37/50/82/1079375082.db2.gz VHPWJWPPNKNZBE-MQSCRBSSSA-N 2 1 422.614 2.258 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001169694987 1079375085 /nfs/dbraw/zinc/37/50/85/1079375085.db2.gz VHPWJWPPNKNZBE-MQSCRBSSSA-N 2 1 422.614 2.258 20 0 HEADMP CS(=O)(=O)C1CCC([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001169884826 1079458281 /nfs/dbraw/zinc/45/82/81/1079458281.db2.gz JELMTYBHYSVJGX-UHFFFAOYSA-N 2 1 421.607 2.352 20 0 HEADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000766877240 1079472225 /nfs/dbraw/zinc/47/22/25/1079472225.db2.gz CWFNIYCZZAESHZ-MOPGFXCFSA-N 2 1 423.602 2.055 20 0 HEADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000766877240 1079472229 /nfs/dbraw/zinc/47/22/29/1079472229.db2.gz CWFNIYCZZAESHZ-MOPGFXCFSA-N 2 1 423.602 2.055 20 0 HEADMP CNC(=O)c1ccc(C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2CC2)cc1 ZINC000771753934 1079484367 /nfs/dbraw/zinc/48/43/67/1079484367.db2.gz OEAQJLDNOPVRTJ-JOCHJYFZSA-N 2 1 408.546 2.430 20 0 HEADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 ZINC000738089416 1075960033 /nfs/dbraw/zinc/96/00/33/1075960033.db2.gz IUSAYGCTLALCDO-UHFFFAOYSA-N 2 1 406.552 2.091 20 0 HEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 ZINC000738089416 1075960042 /nfs/dbraw/zinc/96/00/42/1075960042.db2.gz IUSAYGCTLALCDO-UHFFFAOYSA-N 2 1 406.552 2.091 20 0 HEADMP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739067278 1076035604 /nfs/dbraw/zinc/03/56/04/1076035604.db2.gz MBEBVPJYIBHFQH-UHFFFAOYSA-N 2 1 417.598 2.250 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)[C@H](C(C)C)[NH+]3CCCC3)cc2)CC1 ZINC000741012018 1076328385 /nfs/dbraw/zinc/32/83/85/1076328385.db2.gz SQOIBXKUXISHEA-QFIPXVFZSA-N 2 1 416.566 2.431 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(N2CCOC2=O)ccc1F ZINC000741685333 1076585584 /nfs/dbraw/zinc/58/55/84/1076585584.db2.gz SMBPWDSOPZKXAN-QGZVFWFLSA-N 2 1 406.502 2.270 20 0 HEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000742572460 1076852513 /nfs/dbraw/zinc/85/25/13/1076852513.db2.gz DFMUQUCIHBDDRI-UHFFFAOYSA-N 2 1 403.527 2.419 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000767081515 1079652935 /nfs/dbraw/zinc/65/29/35/1079652935.db2.gz QQECFAHURKGQIK-CYBMUJFWSA-N 2 1 409.383 2.425 20 0 HEADMP C[C@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164865 1080435066 /nfs/dbraw/zinc/43/50/66/1080435066.db2.gz BIZMKGPBYDATCX-HOTGVXAUSA-N 2 1 403.527 2.417 20 0 HEADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](C2CC(C)(C)N(O)C(C)(C)C2)CC3)CC1 ZINC001170001948 1081011008 /nfs/dbraw/zinc/01/10/08/1081011008.db2.gz NXTRYEXCDADEGW-UHFFFAOYSA-N 2 1 402.587 2.040 20 0 HEADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C2CC(C)(C)N(O)C(C)(C)C2)CC3)CC1 ZINC001170001948 1081011017 /nfs/dbraw/zinc/01/10/17/1081011017.db2.gz NXTRYEXCDADEGW-UHFFFAOYSA-N 2 1 402.587 2.040 20 0 HEADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000769391979 1081050316 /nfs/dbraw/zinc/05/03/16/1081050316.db2.gz DWBWSOMSKBRXOR-WOJBJXKFSA-N 2 1 416.566 2.483 20 0 HEADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000769517549 1081105535 /nfs/dbraw/zinc/10/55/35/1081105535.db2.gz OWIWKMXHTYSVRT-VAMGGRTRSA-N 2 1 410.603 2.161 20 0 HEADMP CCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc(N2CCOCC2)[nH+]1 ZINC001164811759 720142049 /nfs/dbraw/zinc/14/20/49/720142049.db2.gz NECARCXXWDAMPN-WMZHIEFXSA-N 2 1 415.582 2.060 20 0 HEADMP CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc(N2CCOCC2)[nH+]1 ZINC001164811759 720142050 /nfs/dbraw/zinc/14/20/50/720142050.db2.gz NECARCXXWDAMPN-WMZHIEFXSA-N 2 1 415.582 2.060 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834738 720508483 /nfs/dbraw/zinc/50/84/83/720508483.db2.gz HKDKMUGPOSUDTP-TXPKVOOTSA-N 2 1 415.973 2.350 20 0 HEADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742702 720808156 /nfs/dbraw/zinc/80/81/56/720808156.db2.gz DBVZOLRNIKPAAB-SLFFLAALSA-N 2 1 410.570 2.212 20 0 HEADMP c1cn(-c2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)cn1 ZINC001164753526 720853598 /nfs/dbraw/zinc/85/35/98/720853598.db2.gz XBTPHIFTCWPJBV-HMXCVIKNSA-N 2 1 404.522 2.238 20 0 HEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)[C@@H]2C ZINC001164861400 721014320 /nfs/dbraw/zinc/01/43/20/721014320.db2.gz OJLGOWSTHYVGIO-QGZVFWFLSA-N 2 1 413.570 2.473 20 0 HEADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872286 721125144 /nfs/dbraw/zinc/12/51/44/721125144.db2.gz HGBIMODPFRILAN-YADHBBJMSA-N 2 1 423.561 2.431 20 0 HEADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164866789 721189440 /nfs/dbraw/zinc/18/94/40/721189440.db2.gz DBRKKFBHWHIMKI-GMAHTHKFSA-N 2 1 423.561 2.335 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]3C2)cn1 ZINC001164759735 721233101 /nfs/dbraw/zinc/23/31/01/721233101.db2.gz BEKWYRIAMVVWJU-PMACEKPBSA-N 2 1 410.566 2.246 20 0 HEADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164759735 721233111 /nfs/dbraw/zinc/23/31/11/721233111.db2.gz BEKWYRIAMVVWJU-PMACEKPBSA-N 3 1 410.566 2.246 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164759735 721233121 /nfs/dbraw/zinc/23/31/21/721233121.db2.gz BEKWYRIAMVVWJU-PMACEKPBSA-N 3 1 410.566 2.246 20 0 HEADMP Cc1cccc(N(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777028 721329880 /nfs/dbraw/zinc/32/98/80/721329880.db2.gz KLMRWLGVKRPGQD-OFNKIYASSA-N 2 1 408.550 2.196 20 0 HEADMP FC1(F)CCN(c2ncnc3c2CC[NH2+]C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904314 721693069 /nfs/dbraw/zinc/69/30/69/721693069.db2.gz FMOLLWNHFHBIDJ-HXUWFJFHSA-N 2 1 400.477 2.255 20 0 HEADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001164908393 721748430 /nfs/dbraw/zinc/74/84/30/721748430.db2.gz HPMFKLTVHGYJCU-UHFFFAOYSA-N 2 1 419.533 2.069 20 0 HEADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(N3CC[NH2+]CC3)nn1)C2 ZINC001164908393 721748442 /nfs/dbraw/zinc/74/84/42/721748442.db2.gz HPMFKLTVHGYJCU-UHFFFAOYSA-N 2 1 419.533 2.069 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]21 ZINC001165027240 721802138 /nfs/dbraw/zinc/80/21/38/721802138.db2.gz UTBJGZYYGFSZBV-BVSLBCMMSA-N 2 1 421.593 2.360 20 0 HEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770682268 1078932156 /nfs/dbraw/zinc/93/21/56/1078932156.db2.gz MUTSVNTYBVJNDE-IBGZPJMESA-N 2 1 423.517 2.431 20 0 HEADMP C[C@@H]1C[C@@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849873 1079061707 /nfs/dbraw/zinc/06/17/07/1079061707.db2.gz MDYDNRKLCYTSPF-IEBWSBKVSA-N 2 1 418.582 2.208 20 0 HEADMP CC[NH+]1CCC([N@@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001169251167 1079212368 /nfs/dbraw/zinc/21/23/68/1079212368.db2.gz UYRAJDCYZQUINF-IFMALSPDSA-N 2 1 405.608 2.439 20 0 HEADMP CC[NH+]1CCC([N@H+]2CC[C@@H]3CN(CCc4ccccc4)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001169251167 1079212375 /nfs/dbraw/zinc/21/23/75/1079212375.db2.gz UYRAJDCYZQUINF-IFMALSPDSA-N 2 1 405.608 2.439 20 0 HEADMP [NH3+]C1CCN(c2nccc(N[C@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)n2)CC1 ZINC001169516897 1079328245 /nfs/dbraw/zinc/32/82/45/1079328245.db2.gz WCWKLHKZRWVHFE-RXVVDRJESA-N 2 1 424.549 2.275 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000737464385 1076858900 /nfs/dbraw/zinc/85/89/00/1076858900.db2.gz YAYMBKQVIRSOEQ-LJQANCHMSA-N 2 1 419.639 2.108 20 0 HEADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000743080145 1076946523 /nfs/dbraw/zinc/94/65/23/1076946523.db2.gz SYNYTKCQNAHMQK-HXUWFJFHSA-N 2 1 416.614 2.224 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761371 1079514959 /nfs/dbraw/zinc/51/49/59/1079514959.db2.gz LBJVMVXRSLIEQH-OALUTQOASA-N 2 1 404.555 2.347 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761371 1079514967 /nfs/dbraw/zinc/51/49/67/1079514967.db2.gz LBJVMVXRSLIEQH-OALUTQOASA-N 2 1 404.555 2.347 20 0 HEADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000772581927 1079942291 /nfs/dbraw/zinc/94/22/91/1079942291.db2.gz WFWSJIARJPSSEI-IBGZPJMESA-N 2 1 407.580 2.488 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000772581927 1079942304 /nfs/dbraw/zinc/94/23/04/1079942304.db2.gz WFWSJIARJPSSEI-IBGZPJMESA-N 2 1 407.580 2.488 20 0 HEADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768215901 1080418006 /nfs/dbraw/zinc/41/80/06/1080418006.db2.gz DIZIDSVKMUJUOU-RBBKRZOGSA-N 2 1 418.582 2.030 20 0 HEADMP O=C(CC[N@@H+]1CCc2ccccc2C1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000786815136 1080840497 /nfs/dbraw/zinc/84/04/97/1080840497.db2.gz AAOPSDXLCACBRH-UHFFFAOYSA-N 2 1 421.541 2.322 20 0 HEADMP O=C(CC[N@H+]1CCc2ccccc2C1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000786815136 1080840499 /nfs/dbraw/zinc/84/04/99/1080840499.db2.gz AAOPSDXLCACBRH-UHFFFAOYSA-N 2 1 421.541 2.322 20 0 HEADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000769224376 1081007954 /nfs/dbraw/zinc/00/79/54/1081007954.db2.gz GIHCNFLEYFNZOG-UHFFFAOYSA-N 2 1 408.587 2.452 20 0 HEADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000769224376 1081007970 /nfs/dbraw/zinc/00/79/70/1081007970.db2.gz GIHCNFLEYFNZOG-UHFFFAOYSA-N 2 1 408.587 2.452 20 0 HEADMP OC[C@@]12C[NH2+]C[C@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164403811 718853642 /nfs/dbraw/zinc/85/36/42/718853642.db2.gz IWNMUBHXPGWEFV-NYHFZMIOSA-N 2 1 413.591 2.184 20 0 HEADMP O=C(c1cccnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CC[NH2+]CC1 ZINC001164628997 719086783 /nfs/dbraw/zinc/08/67/83/719086783.db2.gz PQGUBVYBNLWHFE-IFMALSPDSA-N 2 1 405.546 2.228 20 0 HEADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164717439 720119994 /nfs/dbraw/zinc/11/99/94/720119994.db2.gz OZXGGKPHHDSVRL-SFHVURJKSA-N 2 1 423.517 2.315 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164717439 720120002 /nfs/dbraw/zinc/12/00/02/720120002.db2.gz OZXGGKPHHDSVRL-SFHVURJKSA-N 2 1 423.517 2.315 20 0 HEADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164813737 720190348 /nfs/dbraw/zinc/19/03/48/720190348.db2.gz DVTZIRAWRJCKCR-REWPJTCUSA-N 2 1 415.582 2.040 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@@H]21 ZINC001164843570 720581236 /nfs/dbraw/zinc/58/12/36/720581236.db2.gz YFCWXLWWLSJZGI-HJNYFJLDSA-N 2 1 409.582 2.066 20 0 HEADMP C[NH+]1CCC(Oc2ccnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2)CC1 ZINC001164736123 720591724 /nfs/dbraw/zinc/59/17/24/720591724.db2.gz DGDSKUQUDHZRGH-UHFFFAOYSA-N 2 1 410.566 2.410 20 0 HEADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2)CC1 ZINC001164879552 721177967 /nfs/dbraw/zinc/17/79/67/721177967.db2.gz TYXWDZQTWBKKRV-REWPJTCUSA-N 2 1 423.561 2.429 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]3C2)cn1 ZINC001164759738 721233529 /nfs/dbraw/zinc/23/35/29/721233529.db2.gz BEKWYRIAMVVWJU-WOJBJXKFSA-N 2 1 410.566 2.246 20 0 HEADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164759738 721233542 /nfs/dbraw/zinc/23/35/42/721233542.db2.gz BEKWYRIAMVVWJU-WOJBJXKFSA-N 3 1 410.566 2.246 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164759738 721233556 /nfs/dbraw/zinc/23/35/56/721233556.db2.gz BEKWYRIAMVVWJU-WOJBJXKFSA-N 3 1 410.566 2.246 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164803675 721536063 /nfs/dbraw/zinc/53/60/63/721536063.db2.gz IRUXBHUJYAKYCB-QRVBRYPASA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164803675 721536065 /nfs/dbraw/zinc/53/60/65/721536065.db2.gz IRUXBHUJYAKYCB-QRVBRYPASA-N 2 1 414.941 2.039 20 0 HEADMP FC1(F)CCN(c2ncnc3c2CC[NH2+]CC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906156 721583919 /nfs/dbraw/zinc/58/39/19/721583919.db2.gz ZDKHNDOSSKDHPU-OAQYLSRUSA-N 2 1 414.504 2.298 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746099469 1078794063 /nfs/dbraw/zinc/79/40/63/1078794063.db2.gz UVEFDNKSJDIEJE-XMMPIXPASA-N 2 1 408.546 2.404 20 0 HEADMP Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)C2=O)cn1 ZINC000746377955 1078883918 /nfs/dbraw/zinc/88/39/18/1078883918.db2.gz SOPBNPYZXHFFJA-QFIPXVFZSA-N 2 1 423.561 2.139 20 0 HEADMP Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)C2=O)cn1 ZINC000746377955 1078883920 /nfs/dbraw/zinc/88/39/20/1078883920.db2.gz SOPBNPYZXHFFJA-QFIPXVFZSA-N 2 1 423.561 2.139 20 0 HEADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000770770606 1078989749 /nfs/dbraw/zinc/98/97/49/1078989749.db2.gz NCCBXRSHJFGLBV-SFTDATJTSA-N 2 1 401.555 2.193 20 0 HEADMP C[C@@H]1C[C@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849874 1079061729 /nfs/dbraw/zinc/06/17/29/1079061729.db2.gz MDYDNRKLCYTSPF-MJGOQNOKSA-N 2 1 418.582 2.208 20 0 HEADMP COc1ccc(CN2CC[C@H]([NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)CC2=O)cc1 ZINC001168934824 1079078838 /nfs/dbraw/zinc/07/88/38/1079078838.db2.gz JPNMNQHMLOAYLB-SFHVURJKSA-N 2 1 400.523 2.316 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[NH+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131600 1079151597 /nfs/dbraw/zinc/15/15/97/1079151597.db2.gz WHBIHSIIFRPUSH-OUMCCJGNSA-N 3 1 423.605 2.111 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[N@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131600 1079151599 /nfs/dbraw/zinc/15/15/99/1079151599.db2.gz WHBIHSIIFRPUSH-OUMCCJGNSA-N 3 1 423.605 2.111 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[N@@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131600 1079151602 /nfs/dbraw/zinc/15/16/02/1079151602.db2.gz WHBIHSIIFRPUSH-OUMCCJGNSA-N 3 1 423.605 2.111 20 0 HEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[N@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131600 1079151603 /nfs/dbraw/zinc/15/16/03/1079151603.db2.gz WHBIHSIIFRPUSH-OUMCCJGNSA-N 2 1 423.605 2.111 20 0 HEADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(C[N@@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131600 1079151606 /nfs/dbraw/zinc/15/16/06/1079151606.db2.gz WHBIHSIIFRPUSH-OUMCCJGNSA-N 2 1 423.605 2.111 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC(c3cc4c(ncn4C)c(N4CCOCC4)n3)CC2)CC1 ZINC001169250823 1079211983 /nfs/dbraw/zinc/21/19/83/1079211983.db2.gz TVDJGSJCODWFHN-UHFFFAOYSA-N 2 1 412.582 2.469 20 0 HEADMP O=C(OCc1ccccc1)[C@H]1CCC[NH2+][C@H](Nc2ncccc2N2CC[NH2+]CC2)C1 ZINC001169514768 1079319140 /nfs/dbraw/zinc/31/91/40/1079319140.db2.gz QZUPXGRNRVYZEK-PZJWPPBQSA-N 2 1 409.534 2.362 20 0 HEADMP CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001169548162 1079328808 /nfs/dbraw/zinc/32/88/08/1079328808.db2.gz DMRVPWOVEBSOKO-GMKZXUHWSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001169548162 1079328812 /nfs/dbraw/zinc/32/88/12/1079328812.db2.gz DMRVPWOVEBSOKO-GMKZXUHWSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001169548162 1079328818 /nfs/dbraw/zinc/32/88/18/1079328818.db2.gz DMRVPWOVEBSOKO-GMKZXUHWSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001169548162 1079328821 /nfs/dbraw/zinc/32/88/21/1079328821.db2.gz DMRVPWOVEBSOKO-GMKZXUHWSA-N 2 1 412.578 2.253 20 0 HEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC001169554157 1079330510 /nfs/dbraw/zinc/33/05/10/1079330510.db2.gz HWWRVTXIWHYIFR-IPJJNNNSSA-N 2 1 413.603 2.475 20 0 HEADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4CCCN(C(C)=O)C4)CC3)C2)c1 ZINC001169607207 1079343745 /nfs/dbraw/zinc/34/37/45/1079343745.db2.gz BOGKOXHIPFYNHF-NRFANRHFSA-N 2 1 401.551 2.373 20 0 HEADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CCCN(C(C)=O)C4)CC3)C2)c1 ZINC001169607207 1079343749 /nfs/dbraw/zinc/34/37/49/1079343749.db2.gz BOGKOXHIPFYNHF-NRFANRHFSA-N 2 1 401.551 2.373 20 0 HEADMP CS(=O)(=O)C1CCC([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CC1 ZINC001169885323 1079458811 /nfs/dbraw/zinc/45/88/11/1079458811.db2.gz QNJJDTYQRFOAMX-UHFFFAOYSA-N 2 1 421.607 2.352 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755524 1079484858 /nfs/dbraw/zinc/48/48/58/1079484858.db2.gz FOUARNOBRXPWEV-HKUYNNGSSA-N 2 1 404.555 2.252 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755524 1079484867 /nfs/dbraw/zinc/48/48/67/1079484867.db2.gz FOUARNOBRXPWEV-HKUYNNGSSA-N 2 1 404.555 2.252 20 0 HEADMP NC(=O)c1c(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000739927006 1076094309 /nfs/dbraw/zinc/09/43/09/1076094309.db2.gz YZEZADCFVFUOLL-OAHLLOKOSA-N 2 1 404.580 2.472 20 0 HEADMP NC(=O)c1c(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000739927006 1076094317 /nfs/dbraw/zinc/09/43/17/1076094317.db2.gz YZEZADCFVFUOLL-OAHLLOKOSA-N 2 1 404.580 2.472 20 0 HEADMP O=C1CCCN1C[C@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000740877667 1076278569 /nfs/dbraw/zinc/27/85/69/1076278569.db2.gz WKPSHKCEOFSXAE-NHCUHLMSSA-N 2 1 404.599 2.330 20 0 HEADMP O=C1CCCN1C[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000740877667 1076278576 /nfs/dbraw/zinc/27/85/76/1076278576.db2.gz WKPSHKCEOFSXAE-NHCUHLMSSA-N 2 1 404.599 2.330 20 0 HEADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NCCC[NH+]1CCOCC1 ZINC000743060348 1076947614 /nfs/dbraw/zinc/94/76/14/1076947614.db2.gz BSIGYVALJUYYGM-OAQYLSRUSA-N 2 1 404.624 2.427 20 0 HEADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=S)NCCC[NH+]1CCOCC1 ZINC000743060348 1076947632 /nfs/dbraw/zinc/94/76/32/1076947632.db2.gz BSIGYVALJUYYGM-OAQYLSRUSA-N 2 1 404.624 2.427 20 0 HEADMP CSC[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000767769603 1080078080 /nfs/dbraw/zinc/07/80/80/1080078080.db2.gz BJGUCNSSVNAUBN-GHTZIAJQSA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@@H]1CCC[N@H+]1CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000767769603 1080078089 /nfs/dbraw/zinc/07/80/89/1080078089.db2.gz BJGUCNSSVNAUBN-GHTZIAJQSA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@@H]1CCC[NH+]1CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000767769603 1080078101 /nfs/dbraw/zinc/07/81/01/1080078101.db2.gz BJGUCNSSVNAUBN-GHTZIAJQSA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@@H]1CCC[NH+]1CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000767769603 1080078109 /nfs/dbraw/zinc/07/81/09/1080078109.db2.gz BJGUCNSSVNAUBN-GHTZIAJQSA-N 2 1 402.564 2.358 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC[NH+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650964 1080101489 /nfs/dbraw/zinc/10/14/89/1080101489.db2.gz GEYKXWYKFROHNA-ICSRJNTNSA-N 2 1 405.514 2.134 20 0 HEADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650964 1080101496 /nfs/dbraw/zinc/10/14/96/1080101496.db2.gz GEYKXWYKFROHNA-ICSRJNTNSA-N 2 1 405.514 2.134 20 0 HEADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650964 1080101508 /nfs/dbraw/zinc/10/15/08/1080101508.db2.gz GEYKXWYKFROHNA-ICSRJNTNSA-N 2 1 405.514 2.134 20 0 HEADMP Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000785730482 1080203935 /nfs/dbraw/zinc/20/39/35/1080203935.db2.gz GRWJKSSBCUQJIT-OALUTQOASA-N 2 1 401.551 2.492 20 0 HEADMP Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000785730480 1080204202 /nfs/dbraw/zinc/20/42/02/1080204202.db2.gz GRWJKSSBCUQJIT-KDURUIRLSA-N 2 1 401.551 2.492 20 0 HEADMP Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000785730480 1080204227 /nfs/dbraw/zinc/20/42/27/1080204227.db2.gz GRWJKSSBCUQJIT-KDURUIRLSA-N 2 1 401.551 2.492 20 0 HEADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000768765386 1080753300 /nfs/dbraw/zinc/75/33/00/1080753300.db2.gz DMRFHEQMRNRXJY-AUSIDOKSSA-N 2 1 408.546 2.260 20 0 HEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000768765386 1080753310 /nfs/dbraw/zinc/75/33/10/1080753310.db2.gz DMRFHEQMRNRXJY-AUSIDOKSSA-N 2 1 408.546 2.260 20 0 HEADMP CC[N@@H+](CCO)CCNC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000769232317 1081010492 /nfs/dbraw/zinc/01/04/92/1081010492.db2.gz LQTQJSHCDDWBQL-UHFFFAOYSA-N 2 1 419.570 2.327 20 0 HEADMP CC1(C)CC([N@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC(C)(C)N1O ZINC001170001933 1081011192 /nfs/dbraw/zinc/01/11/92/1081011192.db2.gz NBICHWHCXQAKHE-UHFFFAOYSA-N 2 1 403.571 2.456 20 0 HEADMP C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164405063 718839534 /nfs/dbraw/zinc/83/95/34/718839534.db2.gz ORRPDFBARVRFPK-MRXNPFEDSA-N 2 1 412.607 2.260 20 0 HEADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[NH2+]C[C@]3(CO)C2)n1 ZINC001164401772 718854081 /nfs/dbraw/zinc/85/40/81/718854081.db2.gz CXWSLQNYJOECHR-KSFYIVLOSA-N 2 1 409.559 2.438 20 0 HEADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001164401774 718854213 /nfs/dbraw/zinc/85/42/13/718854213.db2.gz CXWSLQNYJOECHR-ZHRRBRCNSA-N 2 1 409.559 2.438 20 0 HEADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164615238 719013727 /nfs/dbraw/zinc/01/37/27/719013727.db2.gz HQASYEVHNAXMND-BVSLBCMMSA-N 2 1 406.530 2.370 20 0 HEADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164615238 719013730 /nfs/dbraw/zinc/01/37/30/719013730.db2.gz HQASYEVHNAXMND-BVSLBCMMSA-N 2 1 406.530 2.370 20 0 HEADMP COC(=O)c1cc2c(OC)[nH]c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)cc-2n1 ZINC001164681546 719619675 /nfs/dbraw/zinc/61/96/75/719619675.db2.gz HSMGVQOEIXKVRC-UHFFFAOYSA-N 2 1 412.494 2.030 20 0 HEADMP COC(=O)c1cc2c(OC)[nH]c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)cc-2n1 ZINC001164681546 719619683 /nfs/dbraw/zinc/61/96/83/719619683.db2.gz HSMGVQOEIXKVRC-UHFFFAOYSA-N 2 1 412.494 2.030 20 0 HEADMP Cc1cc(NC(=O)c2cccnc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)no1 ZINC001164679781 719636408 /nfs/dbraw/zinc/63/64/08/719636408.db2.gz MWSBSHKDJCDESP-UHFFFAOYSA-N 2 1 409.494 2.302 20 0 HEADMP Cc1cc(NC(=O)c2cccnc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)no1 ZINC001164679781 719636413 /nfs/dbraw/zinc/63/64/13/719636413.db2.gz MWSBSHKDJCDESP-UHFFFAOYSA-N 2 1 409.494 2.302 20 0 HEADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(N4CC[NH2+]CC4)nn2)CC3)cs1 ZINC001164692807 719805427 /nfs/dbraw/zinc/80/54/27/719805427.db2.gz PQFKKOUDLUAGLD-UHFFFAOYSA-N 2 1 413.595 2.286 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164711626 720094507 /nfs/dbraw/zinc/09/45/07/720094507.db2.gz RUTDSBVNQQRSMQ-FQEVSTJZSA-N 2 1 422.577 2.067 20 0 HEADMP CC(C)n1ccc2c1nc[nH+]c2N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164713397 720193777 /nfs/dbraw/zinc/19/37/77/720193777.db2.gz BQFNGWUKLUVYQF-LJQANCHMSA-N 2 1 424.553 2.357 20 0 HEADMP c1cn(-c2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)cn1 ZINC001164753524 720853432 /nfs/dbraw/zinc/85/34/32/720853432.db2.gz XBTPHIFTCWPJBV-CEWLAPEOSA-N 2 1 404.522 2.238 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164910287 721548290 /nfs/dbraw/zinc/54/82/90/721548290.db2.gz UCPSXWXQDSHIOC-CTNGQTDRSA-N 2 1 411.525 2.490 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164910287 721548293 /nfs/dbraw/zinc/54/82/93/721548293.db2.gz UCPSXWXQDSHIOC-CTNGQTDRSA-N 3 1 411.525 2.490 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164910287 721548294 /nfs/dbraw/zinc/54/82/94/721548294.db2.gz UCPSXWXQDSHIOC-CTNGQTDRSA-N 3 1 411.525 2.490 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165022198 721804685 /nfs/dbraw/zinc/80/46/85/721804685.db2.gz IGSMUJFMTQJJQU-HLAWJBBLSA-N 2 1 407.566 2.018 20 0 HEADMP CC(C)(C)OC(=O)N1CC([NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000769771969 1078549212 /nfs/dbraw/zinc/54/92/12/1078549212.db2.gz JKISPBCPQGVKHS-UHFFFAOYSA-N 2 1 408.587 2.310 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000745687740 1078600870 /nfs/dbraw/zinc/60/08/70/1078600870.db2.gz LMNNVYGUCDGGTA-HXUWFJFHSA-N 2 1 413.570 2.133 20 0 HEADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000745687740 1078600881 /nfs/dbraw/zinc/60/08/81/1078600881.db2.gz LMNNVYGUCDGGTA-HXUWFJFHSA-N 3 1 413.570 2.133 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000745687740 1078600897 /nfs/dbraw/zinc/60/08/97/1078600897.db2.gz LMNNVYGUCDGGTA-HXUWFJFHSA-N 3 1 413.570 2.133 20 0 HEADMP COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CC[N@H+](C(C)C)C3)CC2)cc1 ZINC000065441877 1078889273 /nfs/dbraw/zinc/88/92/73/1078889273.db2.gz ORNLUIOJXDZOLO-HXUWFJFHSA-N 2 1 417.598 2.237 20 0 HEADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000770650465 1078938458 /nfs/dbraw/zinc/93/84/58/1078938458.db2.gz DJMOVXNNNCFPFW-NRFANRHFSA-N 2 1 402.564 2.460 20 0 HEADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000770650465 1078938467 /nfs/dbraw/zinc/93/84/67/1078938467.db2.gz DJMOVXNNNCFPFW-NRFANRHFSA-N 2 1 402.564 2.460 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CO[C@@]3(C1)COCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169093564 1079127163 /nfs/dbraw/zinc/12/71/63/1079127163.db2.gz IOBBDIMLKHETQT-KSSXRGRSSA-N 2 1 409.571 2.244 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O1)C2 ZINC001169091445 1079138692 /nfs/dbraw/zinc/13/86/92/1079138692.db2.gz RGPSGBCFLVZTKY-ZMMAXQRCSA-N 2 1 418.513 2.202 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001169116513 1079140701 /nfs/dbraw/zinc/14/07/01/1079140701.db2.gz XWDKSOAKFOISLI-DEOSSOPVSA-N 2 1 406.530 2.469 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCO[C@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129853 1079150083 /nfs/dbraw/zinc/15/00/83/1079150083.db2.gz KURLUCOJSNWRJU-VQQMMKBISA-N 2 1 409.571 2.340 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCO[C@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129853 1079150087 /nfs/dbraw/zinc/15/00/87/1079150087.db2.gz KURLUCOJSNWRJU-VQQMMKBISA-N 2 1 409.571 2.340 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCO[C@]3(COCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169129853 1079150092 /nfs/dbraw/zinc/15/00/92/1079150092.db2.gz KURLUCOJSNWRJU-VQQMMKBISA-N 2 1 409.571 2.340 20 0 HEADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C1)C2 ZINC001169138208 1079155684 /nfs/dbraw/zinc/15/56/84/1079155684.db2.gz GLDAKABHROOWJK-CTWRKMMKSA-N 2 1 403.592 2.289 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C1)C2 ZINC001169138208 1079155686 /nfs/dbraw/zinc/15/56/86/1079155686.db2.gz GLDAKABHROOWJK-CTWRKMMKSA-N 2 1 403.592 2.289 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C1)C2 ZINC001169138208 1079155689 /nfs/dbraw/zinc/15/56/89/1079155689.db2.gz GLDAKABHROOWJK-CTWRKMMKSA-N 2 1 403.592 2.289 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C1)C2 ZINC001169138208 1079155690 /nfs/dbraw/zinc/15/56/90/1079155690.db2.gz GLDAKABHROOWJK-CTWRKMMKSA-N 2 1 403.592 2.289 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc(OCC[NH+]3CCCC3)nn2)c2ccccc12 ZINC001169114364 1079161530 /nfs/dbraw/zinc/16/15/30/1079161530.db2.gz YHFPSDRAFSTJDA-HSZRJFAPSA-N 2 1 423.517 2.328 20 0 HEADMP CC[NH+]1CCC([N@@H+]2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001169254453 1079213090 /nfs/dbraw/zinc/21/30/90/1079213090.db2.gz XJNPASCANUKOHF-DENIHFKCSA-N 2 1 421.607 2.406 20 0 HEADMP CC[NH+]1CCC([N@H+]2CC[C@@H]3CN(Cc4cccc(OC)c4)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001169254453 1079213092 /nfs/dbraw/zinc/21/30/92/1079213092.db2.gz XJNPASCANUKOHF-DENIHFKCSA-N 2 1 421.607 2.406 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CO1 ZINC001169392359 1079262279 /nfs/dbraw/zinc/26/22/79/1079262279.db2.gz PWFMWCKYOVYGHZ-SFTDATJTSA-N 2 1 402.535 2.464 20 0 HEADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@H](Nc2cnc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001169521999 1079322292 /nfs/dbraw/zinc/32/22/92/1079322292.db2.gz UIXNGUPRJJKNPW-MISYRCLQSA-N 2 1 411.506 2.088 20 0 HEADMP CC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169570241 1079334146 /nfs/dbraw/zinc/33/41/46/1079334146.db2.gz PMAWIPDJSHNUCY-IBGZPJMESA-N 2 1 408.587 2.451 20 0 HEADMP Cc1ccccc1[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]1 ZINC001169829941 1079425112 /nfs/dbraw/zinc/42/51/12/1079425112.db2.gz FOYYJKWQUSXARC-HXUWFJFHSA-N 2 1 407.518 2.399 20 0 HEADMP C[NH+]1CCN(c2ccccc2NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000741266708 1076437042 /nfs/dbraw/zinc/43/70/42/1076437042.db2.gz OZGJDHCMMPQCFN-DEOSSOPVSA-N 2 1 423.561 2.197 20 0 HEADMP C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[NH+]1CCC(C)CC1 ZINC000743413111 1077048964 /nfs/dbraw/zinc/04/89/64/1077048964.db2.gz AVFHTLBCZDEHKG-LJQANCHMSA-N 2 1 415.582 2.004 20 0 HEADMP CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000745088403 1077725225 /nfs/dbraw/zinc/72/52/25/1077725225.db2.gz NKTWPNJVRSYFHB-TYPHKJRUSA-N 2 1 401.551 2.429 20 0 HEADMP CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000745088403 1077725231 /nfs/dbraw/zinc/72/52/31/1077725231.db2.gz NKTWPNJVRSYFHB-TYPHKJRUSA-N 2 1 401.551 2.429 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[NH+](C)Cc2ccc(F)cc2)CC1=O ZINC000785651010 1080100395 /nfs/dbraw/zinc/10/03/95/1080100395.db2.gz GEYKXWYKFROHNA-UYAOXDASSA-N 2 1 405.514 2.134 20 0 HEADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000785651010 1080100413 /nfs/dbraw/zinc/10/04/13/1080100413.db2.gz GEYKXWYKFROHNA-UYAOXDASSA-N 2 1 405.514 2.134 20 0 HEADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000785651010 1080100426 /nfs/dbraw/zinc/10/04/26/1080100426.db2.gz GEYKXWYKFROHNA-UYAOXDASSA-N 2 1 405.514 2.134 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000769044254 1080893311 /nfs/dbraw/zinc/89/33/11/1080893311.db2.gz XERMPUQSKYMRDS-LJQANCHMSA-N 2 1 404.555 2.395 20 0 HEADMP C[NH+](C)Cc1cccc(CNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000769098108 1080908619 /nfs/dbraw/zinc/90/86/19/1080908619.db2.gz CWUIZKOYGAXUEI-UHFFFAOYSA-N 2 1 404.555 2.354 20 0 HEADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCOc2ccccc2)O1 ZINC001109442774 1081010560 /nfs/dbraw/zinc/01/05/60/1081010560.db2.gz GPBKKHVMQVKYOI-OPNZPCBVSA-N 2 1 401.551 2.286 20 0 HEADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCOc2ccccc2)O1 ZINC001109442774 1081010567 /nfs/dbraw/zinc/01/05/67/1081010567.db2.gz GPBKKHVMQVKYOI-OPNZPCBVSA-N 2 1 401.551 2.286 20 0 HEADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCOc2ccccc2)O1 ZINC001109442774 1081010573 /nfs/dbraw/zinc/01/05/73/1081010573.db2.gz GPBKKHVMQVKYOI-OPNZPCBVSA-N 2 1 401.551 2.286 20 0 HEADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCOc2ccccc2)O1 ZINC001109442774 1081010585 /nfs/dbraw/zinc/01/05/85/1081010585.db2.gz GPBKKHVMQVKYOI-OPNZPCBVSA-N 2 1 401.551 2.286 20 0 HEADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCOCc2ccccc2)O1 ZINC001109443091 1081010643 /nfs/dbraw/zinc/01/06/43/1081010643.db2.gz VJWFIZOMPDOJGE-MBMVPVEPSA-N 2 1 401.551 2.034 20 0 HEADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCOCc2ccccc2)O1 ZINC001109443091 1081010654 /nfs/dbraw/zinc/01/06/54/1081010654.db2.gz VJWFIZOMPDOJGE-MBMVPVEPSA-N 2 1 401.551 2.034 20 0 HEADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCOCc2ccccc2)O1 ZINC001109443091 1081010663 /nfs/dbraw/zinc/01/06/63/1081010663.db2.gz VJWFIZOMPDOJGE-MBMVPVEPSA-N 2 1 401.551 2.034 20 0 HEADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCOCc2ccccc2)O1 ZINC001109443091 1081010673 /nfs/dbraw/zinc/01/06/73/1081010673.db2.gz VJWFIZOMPDOJGE-MBMVPVEPSA-N 2 1 401.551 2.034 20 0 HEADMP CCOC(=O)c1cc2cccnc2nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681553 719620544 /nfs/dbraw/zinc/62/05/44/719620544.db2.gz HWZHZQBQZHGHNX-UHFFFAOYSA-N 2 1 408.506 2.478 20 0 HEADMP CCOC(=O)c1cc2cccnc2nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681553 719620547 /nfs/dbraw/zinc/62/05/47/719620547.db2.gz HWZHZQBQZHGHNX-UHFFFAOYSA-N 2 1 408.506 2.478 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(-c2nc(CO)ccc2NC(=O)C(C)(C)C)c2c1CC[NH2+]C2 ZINC001164681568 719632472 /nfs/dbraw/zinc/63/24/72/719632472.db2.gz IFKIBJIEXTVYAM-UHFFFAOYSA-N 2 1 414.554 2.230 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(CO)ccc2NC(=O)C(C)(C)C)c2c1CC[NH2+]C2 ZINC001164681568 719632474 /nfs/dbraw/zinc/63/24/74/719632474.db2.gz IFKIBJIEXTVYAM-UHFFFAOYSA-N 2 1 414.554 2.230 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164711161 720104820 /nfs/dbraw/zinc/10/48/20/720104820.db2.gz OTWOQUCULPBSRM-LJQANCHMSA-N 2 1 408.550 2.025 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843571 720579841 /nfs/dbraw/zinc/57/98/41/720579841.db2.gz YFCWXLWWLSJZGI-ILWGZMRPSA-N 2 1 409.582 2.066 20 0 HEADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164748253 720808182 /nfs/dbraw/zinc/80/81/82/720808182.db2.gz QCLMEDCZCQLHRB-PCCBWWKXSA-N 2 1 422.581 2.356 20 0 HEADMP c1cn(-c2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)cn1 ZINC001164753525 720853714 /nfs/dbraw/zinc/85/37/14/720853714.db2.gz XBTPHIFTCWPJBV-HLAWJBBLSA-N 2 1 404.522 2.238 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)cc(C5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164771617 721103187 /nfs/dbraw/zinc/10/31/87/721103187.db2.gz SHCZYLYSWLEFHG-MSOLQXFVSA-N 2 1 415.973 2.289 20 0 HEADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905817 721543513 /nfs/dbraw/zinc/54/35/13/721543513.db2.gz IONRWWDYSQXYDR-CTNGQTDRSA-N 2 1 411.525 2.314 20 0 HEADMP c1cc(C[N@H+]2CCOCC3(CCN(c4nccc(C5CC[NH2+]CC5)n4)CC3)C2)ccn1 ZINC001164963377 722058194 /nfs/dbraw/zinc/05/81/94/722058194.db2.gz XRTCPSAAEUPTOC-UHFFFAOYSA-N 2 1 422.577 2.458 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2cc(C3C[NH2+]C3)nc(SC)n2)c2ccccc12 ZINC001169105921 1079132595 /nfs/dbraw/zinc/13/25/95/1079132595.db2.gz MMSFBPDXQPCNNG-NRFANRHFSA-N 2 1 411.531 2.262 20 0 HEADMP CN1[C@H]2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133202 1079151986 /nfs/dbraw/zinc/15/19/86/1079151986.db2.gz CSMGRNRPJCUZOU-JKEDJMADSA-N 2 1 405.564 2.158 20 0 HEADMP CN1[C@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133202 1079151991 /nfs/dbraw/zinc/15/19/91/1079151991.db2.gz CSMGRNRPJCUZOU-JKEDJMADSA-N 2 1 405.564 2.158 20 0 HEADMP CN1[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133202 1079151993 /nfs/dbraw/zinc/15/19/93/1079151993.db2.gz CSMGRNRPJCUZOU-JKEDJMADSA-N 2 1 405.564 2.158 20 0 HEADMP CN1[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001169133202 1079151997 /nfs/dbraw/zinc/15/19/97/1079151997.db2.gz CSMGRNRPJCUZOU-JKEDJMADSA-N 2 1 405.564 2.158 20 0 HEADMP CC(=O)N1CC[C@H]([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001169547672 1079328759 /nfs/dbraw/zinc/32/87/59/1079328759.db2.gz DCNMLGRPOJDOMU-KMDXXIMOSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001169547672 1079328761 /nfs/dbraw/zinc/32/87/61/1079328761.db2.gz DCNMLGRPOJDOMU-KMDXXIMOSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001169547672 1079328763 /nfs/dbraw/zinc/32/87/63/1079328763.db2.gz DCNMLGRPOJDOMU-KMDXXIMOSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001169547672 1079328766 /nfs/dbraw/zinc/32/87/66/1079328766.db2.gz DCNMLGRPOJDOMU-KMDXXIMOSA-N 2 1 412.578 2.253 20 0 HEADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC001169684469 1079366996 /nfs/dbraw/zinc/36/69/96/1079366996.db2.gz JLYDWKPKRTXSBY-SFHVURJKSA-N 2 1 415.563 2.403 20 0 HEADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc(N2CCN(S(C)(=O)=O)CC2)[nH+]1 ZINC001169684468 1079367044 /nfs/dbraw/zinc/36/70/44/1079367044.db2.gz JLYDWKPKRTXSBY-GOSISDBHSA-N 2 1 415.563 2.403 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC1 ZINC001169694190 1079374434 /nfs/dbraw/zinc/37/44/34/1079374434.db2.gz OYCKATXGTFMLSU-PWRODBHTSA-N 2 1 420.598 2.405 20 0 HEADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739085738 1076041734 /nfs/dbraw/zinc/04/17/34/1076041734.db2.gz IFUUNKXNHMJONR-NRFANRHFSA-N 2 1 415.582 2.004 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(OCCCOC)CC3)cc2)CC1 ZINC000741790268 1076628944 /nfs/dbraw/zinc/62/89/44/1076628944.db2.gz FPQZZDYVUHMXFK-UHFFFAOYSA-N 2 1 418.582 2.285 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000743188374 1077002377 /nfs/dbraw/zinc/00/23/77/1077002377.db2.gz NUNMZRWQVBCHNC-FQEVSTJZSA-N 2 1 413.570 2.401 20 0 HEADMP O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1C[NH+]1CCC2(C1)CCOCC2 ZINC000743406709 1077047810 /nfs/dbraw/zinc/04/78/10/1077047810.db2.gz YWRCSBLEANCKEN-QHCPKHFHSA-N 2 1 412.534 2.033 20 0 HEADMP O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[NH+]1CCC2(C1)CCOCC2 ZINC000743406709 1077047816 /nfs/dbraw/zinc/04/78/16/1077047816.db2.gz YWRCSBLEANCKEN-QHCPKHFHSA-N 2 1 412.534 2.033 20 0 HEADMP O=C1N[C@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000743406709 1077047823 /nfs/dbraw/zinc/04/78/23/1077047823.db2.gz YWRCSBLEANCKEN-QHCPKHFHSA-N 2 1 412.534 2.033 20 0 HEADMP O=C1N[C@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@H+]1CCC2(C1)CCOCC2 ZINC000743406709 1077047830 /nfs/dbraw/zinc/04/78/30/1077047830.db2.gz YWRCSBLEANCKEN-QHCPKHFHSA-N 2 1 412.534 2.033 20 0 HEADMP Cc1c(C(=O)NCCNc2cccc(C)[nH+]2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000743464281 1077056161 /nfs/dbraw/zinc/05/61/61/1077056161.db2.gz MPAZHWAXHMXWPO-UHFFFAOYSA-N 2 1 405.506 2.109 20 0 HEADMP Cc1c(C(=O)NCCNc2cccc(C)[nH+]2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000743464281 1077056165 /nfs/dbraw/zinc/05/61/65/1077056165.db2.gz MPAZHWAXHMXWPO-UHFFFAOYSA-N 2 1 405.506 2.109 20 0 HEADMP CCC[C@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000766320008 1077441556 /nfs/dbraw/zinc/44/15/56/1077441556.db2.gz LJVNFDNGLZPQHE-IBGZPJMESA-N 2 1 403.571 2.403 20 0 HEADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC[C@H](C)[NH+]3CCCCC3)cc2)CC1 ZINC000744796181 1077596446 /nfs/dbraw/zinc/59/64/46/1077596446.db2.gz GHYFQCDYEIMIOK-SFHVURJKSA-N 2 1 401.555 2.460 20 0 HEADMP CC[N@H+](CCC[NH+](C)C)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170054317 1080367331 /nfs/dbraw/zinc/36/73/31/1080367331.db2.gz FMIVBZQRLRGNOJ-IRXDYDNUSA-N 2 1 414.616 2.171 20 0 HEADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170054317 1080367332 /nfs/dbraw/zinc/36/73/32/1080367332.db2.gz FMIVBZQRLRGNOJ-IRXDYDNUSA-N 2 1 414.616 2.171 20 0 HEADMP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768222185 1080427481 /nfs/dbraw/zinc/42/74/81/1080427481.db2.gz FRUKYXUZWLHVCV-QUCCMNQESA-N 2 1 410.603 2.018 20 0 HEADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000769241469 1081013361 /nfs/dbraw/zinc/01/33/61/1081013361.db2.gz SMOHXXCEJUDANH-SFHVURJKSA-N 2 1 408.587 2.310 20 0 HEADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164615234 719013424 /nfs/dbraw/zinc/01/34/24/719013424.db2.gz HQASYEVHNAXMND-BAGYTPMASA-N 2 1 406.530 2.370 20 0 HEADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164615234 719013428 /nfs/dbraw/zinc/01/34/28/719013428.db2.gz HQASYEVHNAXMND-BAGYTPMASA-N 2 1 406.530 2.370 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)COc2ccc(Cl)nn2)c2c1CC[NH2+]C2 ZINC001164680533 719637767 /nfs/dbraw/zinc/63/77/67/719637767.db2.gz UXOJVCPJDHOUPJ-UHFFFAOYSA-N 2 1 400.861 2.441 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)COc2ccc(Cl)nn2)c2c1CC[NH2+]C2 ZINC001164680533 719637784 /nfs/dbraw/zinc/63/77/84/719637784.db2.gz UXOJVCPJDHOUPJ-UHFFFAOYSA-N 2 1 400.861 2.441 20 0 HEADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N)[nH+]cn3)CC2)c2ccccc21 ZINC001164683140 719676442 /nfs/dbraw/zinc/67/64/42/719676442.db2.gz RAGQOYNAOOGJRG-KRWDZBQOSA-N 2 1 408.550 2.152 20 0 HEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164838228 720658983 /nfs/dbraw/zinc/65/89/83/720658983.db2.gz GLWRNLVVJUREKY-FQEVSTJZSA-N 2 1 407.562 2.425 20 0 HEADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC[C@H]2C1 ZINC001164860622 720879728 /nfs/dbraw/zinc/87/97/28/720879728.db2.gz OZGULFUTDNODOZ-KKSFZXQISA-N 2 1 401.507 2.426 20 0 HEADMP COCC[N@H+]1CCO[C@H]2CN(c3cc4cc(OC)c(OC)cc4c[nH+]3)CC[C@H]2C1 ZINC001164860622 720879729 /nfs/dbraw/zinc/87/97/29/720879729.db2.gz OZGULFUTDNODOZ-KKSFZXQISA-N 2 1 401.507 2.426 20 0 HEADMP CCc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(N2CCOCC2)[nH+]1 ZINC001164858965 720978957 /nfs/dbraw/zinc/97/89/57/720978957.db2.gz JOXCTDARMIZGKL-KRWDZBQOSA-N 2 1 413.570 2.494 20 0 HEADMP CCc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(N2CCOCC2)[nH+]1 ZINC001164858965 720978961 /nfs/dbraw/zinc/97/89/61/720978961.db2.gz JOXCTDARMIZGKL-KRWDZBQOSA-N 2 1 413.570 2.494 20 0 HEADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)[C@H]2C ZINC001164861399 721013874 /nfs/dbraw/zinc/01/38/74/721013874.db2.gz OJLGOWSTHYVGIO-KRWDZBQOSA-N 2 1 413.570 2.473 20 0 HEADMP CCC[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000745615223 1078567793 /nfs/dbraw/zinc/56/77/93/1078567793.db2.gz BIBDGNSYXFIMLG-UHFFFAOYSA-N 2 1 411.591 2.103 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1ccnc1C ZINC000745734175 1078620449 /nfs/dbraw/zinc/62/04/49/1078620449.db2.gz KWLIPJKQHUVHDZ-HXUWFJFHSA-N 2 1 413.570 2.133 20 0 HEADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000745734175 1078620451 /nfs/dbraw/zinc/62/04/51/1078620451.db2.gz KWLIPJKQHUVHDZ-HXUWFJFHSA-N 3 1 413.570 2.133 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000745734175 1078620454 /nfs/dbraw/zinc/62/04/54/1078620454.db2.gz KWLIPJKQHUVHDZ-HXUWFJFHSA-N 3 1 413.570 2.133 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000745802682 1078653481 /nfs/dbraw/zinc/65/34/81/1078653481.db2.gz UDMPUOROBONQQN-YLJYHZDGSA-N 2 1 415.582 2.324 20 0 HEADMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000746414737 1078913773 /nfs/dbraw/zinc/91/37/73/1078913773.db2.gz HNHZKVRZMVCJDT-LJQANCHMSA-N 2 1 423.602 2.057 20 0 HEADMP O=C(C[N@@H+]1CC[C@H](CO)C1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000746461991 1079014638 /nfs/dbraw/zinc/01/46/38/1079014638.db2.gz IZEFEZBYKHUAKJ-NRFANRHFSA-N 2 1 408.546 2.262 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139977 1079143169 /nfs/dbraw/zinc/14/31/69/1079143169.db2.gz PGPXWDPAJHBPSH-MILMJNAHSA-N 2 1 413.595 2.329 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139977 1079143172 /nfs/dbraw/zinc/14/31/72/1079143172.db2.gz PGPXWDPAJHBPSH-MILMJNAHSA-N 2 1 413.595 2.329 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139977 1079143177 /nfs/dbraw/zinc/14/31/77/1079143177.db2.gz PGPXWDPAJHBPSH-MILMJNAHSA-N 2 1 413.595 2.329 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169131813 1079151215 /nfs/dbraw/zinc/15/12/15/1079151215.db2.gz ZTSFIOHPQDODEV-PMOLBWCYSA-N 2 1 420.598 2.403 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[NH+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131599 1079151457 /nfs/dbraw/zinc/15/14/57/1079151457.db2.gz WHBIHSIIFRPUSH-MTQWNXOMSA-N 3 1 423.605 2.111 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[N@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131599 1079151458 /nfs/dbraw/zinc/15/14/58/1079151458.db2.gz WHBIHSIIFRPUSH-MTQWNXOMSA-N 3 1 423.605 2.111 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[N@@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131599 1079151465 /nfs/dbraw/zinc/15/14/65/1079151465.db2.gz WHBIHSIIFRPUSH-MTQWNXOMSA-N 3 1 423.605 2.111 20 0 HEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[N@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131599 1079151469 /nfs/dbraw/zinc/15/14/69/1079151469.db2.gz WHBIHSIIFRPUSH-MTQWNXOMSA-N 2 1 423.605 2.111 20 0 HEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[N@@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC1)C2 ZINC001169131599 1079151474 /nfs/dbraw/zinc/15/14/74/1079151474.db2.gz WHBIHSIIFRPUSH-MTQWNXOMSA-N 2 1 423.605 2.111 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)c2ccccc12 ZINC001169113225 1079160866 /nfs/dbraw/zinc/16/08/66/1079160866.db2.gz NQZRSQNPWYELHX-WNSKOXEYSA-N 2 1 418.501 2.183 20 0 HEADMP C[C@H]([NH3+])c1ccn(-c2nc(C[N@H+]3CC[C@H](CO)C3)ccc2NC(=O)C(C)(C)C)n1 ZINC001169229988 1079204263 /nfs/dbraw/zinc/20/42/63/1079204263.db2.gz NEPFHQZMDJFMKB-GJZGRUSLSA-N 2 1 400.527 2.086 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC3(C[C@@H](COC)N(C(=O)c4cccn4C)C3)CC2)CC1 ZINC001169253286 1079212796 /nfs/dbraw/zinc/21/27/96/1079212796.db2.gz BEDJCIUSRASFHL-FQEVSTJZSA-N 2 1 402.583 2.453 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CO1 ZINC001169396735 1079268705 /nfs/dbraw/zinc/26/87/05/1079268705.db2.gz LYKNZJMPEBWBQC-LMYCIYFBSA-N 2 1 424.582 2.077 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CO1 ZINC001169397951 1079269871 /nfs/dbraw/zinc/26/98/71/1079269871.db2.gz OPWFMXQCFHYPMZ-FXTUREPZSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CO1 ZINC001169397951 1079269880 /nfs/dbraw/zinc/26/98/80/1079269880.db2.gz OPWFMXQCFHYPMZ-FXTUREPZSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CO1 ZINC001169397951 1079269887 /nfs/dbraw/zinc/26/98/87/1079269887.db2.gz OPWFMXQCFHYPMZ-FXTUREPZSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CO1 ZINC001169397951 1079269899 /nfs/dbraw/zinc/26/98/99/1079269899.db2.gz OPWFMXQCFHYPMZ-FXTUREPZSA-N 2 1 416.566 2.169 20 0 HEADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000771325919 1079287759 /nfs/dbraw/zinc/28/77/59/1079287759.db2.gz XHWMUZCDFOYYJZ-FQEVSTJZSA-N 2 1 418.557 2.073 20 0 HEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001169554155 1079330488 /nfs/dbraw/zinc/33/04/88/1079330488.db2.gz HWWRVTXIWHYIFR-DXIQSLLYSA-N 2 1 413.603 2.475 20 0 HEADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169609055 1079344668 /nfs/dbraw/zinc/34/46/68/1079344668.db2.gz HQHXNQAFLXZJAO-VXKWHMMOSA-N 2 1 407.599 2.227 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)CC1 ZINC001169691214 1079372072 /nfs/dbraw/zinc/37/20/72/1079372072.db2.gz GBXZYNWBQJLRQZ-LJQANCHMSA-N 2 1 419.570 2.302 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)CC1 ZINC001169691214 1079372075 /nfs/dbraw/zinc/37/20/75/1079372075.db2.gz GBXZYNWBQJLRQZ-LJQANCHMSA-N 2 1 419.570 2.302 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169884147 1079457594 /nfs/dbraw/zinc/45/75/94/1079457594.db2.gz YIZSMAUQDWNHRA-KBWCOIMZSA-N 2 1 421.607 2.493 20 0 HEADMP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000766877243 1079472167 /nfs/dbraw/zinc/47/21/67/1079472167.db2.gz CWFNIYCZZAESHZ-OALUTQOASA-N 2 1 423.602 2.055 20 0 HEADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000766877243 1079472173 /nfs/dbraw/zinc/47/21/73/1079472173.db2.gz CWFNIYCZZAESHZ-OALUTQOASA-N 2 1 423.602 2.055 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788673 1076627748 /nfs/dbraw/zinc/62/77/48/1076627748.db2.gz YDTZWMPAZCPLQO-YNGKYYQNSA-N 2 1 409.596 2.410 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788673 1076627765 /nfs/dbraw/zinc/62/77/65/1076627765.db2.gz YDTZWMPAZCPLQO-YNGKYYQNSA-N 2 1 409.596 2.410 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2)CC1 ZINC000785735554 1080209004 /nfs/dbraw/zinc/20/90/04/1080209004.db2.gz WEKUFDSCJSFSSY-QZTJIDSGSA-N 2 1 402.539 2.183 20 0 HEADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CCCCC2)CC[N@@H+]1C ZINC001109306195 1080589299 /nfs/dbraw/zinc/58/92/99/1080589299.db2.gz VVZUXYVWTUBRRJ-JFHUYLGKSA-N 2 1 404.599 2.087 20 0 HEADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(C)CC2CCCCC2)CC[N@H+]1C ZINC001109306195 1080589312 /nfs/dbraw/zinc/58/93/12/1080589312.db2.gz VVZUXYVWTUBRRJ-JFHUYLGKSA-N 2 1 404.599 2.087 20 0 HEADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC001109306195 1080589324 /nfs/dbraw/zinc/58/93/24/1080589324.db2.gz VVZUXYVWTUBRRJ-JFHUYLGKSA-N 2 1 404.599 2.087 20 0 HEADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC2CCCCC2)CC[NH+]1C ZINC001109306195 1080589335 /nfs/dbraw/zinc/58/93/35/1080589335.db2.gz VVZUXYVWTUBRRJ-JFHUYLGKSA-N 2 1 404.599 2.087 20 0 HEADMP C[NH+]1CCC2(CCCN2C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768926717 1080861220 /nfs/dbraw/zinc/86/12/20/1080861220.db2.gz MJAPTJPUTBAOCY-UHFFFAOYSA-N 2 1 423.602 2.199 20 0 HEADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000769206544 1081002140 /nfs/dbraw/zinc/00/21/40/1081002140.db2.gz NIFAJVZESJDXTE-UHFFFAOYSA-N 2 1 408.587 2.310 20 0 HEADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(OC)ccc3OCOC)CC2)CC1 ZINC000769337947 1081047612 /nfs/dbraw/zinc/04/76/12/1081047612.db2.gz MWVJPCINCBHOES-UHFFFAOYSA-N 2 1 419.566 2.444 20 0 HEADMP CC(C)[NH+]1CCC(NC(=O)COC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000787226311 1081078761 /nfs/dbraw/zinc/07/87/61/1081078761.db2.gz KVIMICZSBZYPEZ-UHFFFAOYSA-N 2 1 421.448 2.351 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)cc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164679506 719635777 /nfs/dbraw/zinc/63/57/77/719635777.db2.gz DGTNFIPLIFZHSB-UHFFFAOYSA-N 2 1 412.872 2.114 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)cc2C(N)=O)c2c1CC[NH2+]C2 ZINC001164679506 719635783 /nfs/dbraw/zinc/63/57/83/719635783.db2.gz DGTNFIPLIFZHSB-UHFFFAOYSA-N 2 1 412.872 2.114 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c(Cl)ncnc32)c2c1CC[NH2+]C2 ZINC001164679628 719647251 /nfs/dbraw/zinc/64/72/51/719647251.db2.gz JCGQCVVBFLDQME-UHFFFAOYSA-N 2 1 407.309 2.398 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c(Cl)ncnc32)c2c1CC[NH2+]C2 ZINC001164679628 719647258 /nfs/dbraw/zinc/64/72/58/719647258.db2.gz JCGQCVVBFLDQME-UHFFFAOYSA-N 2 1 407.309 2.398 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@@H]21 ZINC001164843569 720581139 /nfs/dbraw/zinc/58/11/39/720581139.db2.gz YFCWXLWWLSJZGI-BVSLBCMMSA-N 2 1 409.582 2.066 20 0 HEADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741399 720714701 /nfs/dbraw/zinc/71/47/01/720714701.db2.gz SXAKCBBYLFQFNK-ROUUACIJSA-N 2 1 414.941 2.463 20 0 HEADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741399 720714711 /nfs/dbraw/zinc/71/47/11/720714711.db2.gz SXAKCBBYLFQFNK-ROUUACIJSA-N 2 1 414.941 2.463 20 0 HEADMP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(N2CCCC2)[nH+]1 ZINC001164743460 720813271 /nfs/dbraw/zinc/81/32/71/720813271.db2.gz GCECZVJZXUYKSV-PCCBWWKXSA-N 2 1 422.581 2.356 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164743460 720813273 /nfs/dbraw/zinc/81/32/73/720813273.db2.gz GCECZVJZXUYKSV-PCCBWWKXSA-N 2 1 422.581 2.356 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164743460 720813275 /nfs/dbraw/zinc/81/32/75/720813275.db2.gz GCECZVJZXUYKSV-PCCBWWKXSA-N 2 1 422.581 2.356 20 0 HEADMP c1ncn(C[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743097 720845319 /nfs/dbraw/zinc/84/53/19/720845319.db2.gz IOKQYXKQEMTFOS-NJDAHSKKSA-N 2 1 422.581 2.438 20 0 HEADMP c1ncn(C[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743097 720845321 /nfs/dbraw/zinc/84/53/21/720845321.db2.gz IOKQYXKQEMTFOS-NJDAHSKKSA-N 2 1 422.581 2.438 20 0 HEADMP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896766 721439456 /nfs/dbraw/zinc/43/94/56/721439456.db2.gz RZBLRZMJTJAQDQ-LADGPHEKSA-N 2 1 413.610 2.441 20 0 HEADMP C[N@H+](Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1)C1CC1 ZINC001164896766 721439458 /nfs/dbraw/zinc/43/94/58/721439458.db2.gz RZBLRZMJTJAQDQ-LADGPHEKSA-N 2 1 413.610 2.441 20 0 HEADMP C[N@@H+](Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1)C1CC1 ZINC001164896766 721439460 /nfs/dbraw/zinc/43/94/60/721439460.db2.gz RZBLRZMJTJAQDQ-LADGPHEKSA-N 2 1 413.610 2.441 20 0 HEADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164896835 721510532 /nfs/dbraw/zinc/51/05/32/721510532.db2.gz BNNLAWPZOVWMPT-ZBFHGGJFSA-N 2 1 403.889 2.257 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165022202 721804681 /nfs/dbraw/zinc/80/46/81/721804681.db2.gz IGSMUJFMTQJJQU-HMXCVIKNSA-N 2 1 407.566 2.018 20 0 HEADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@@H]3C2)c1 ZINC001164984588 722133676 /nfs/dbraw/zinc/13/36/76/722133676.db2.gz XJCSHWTVYXMBNM-NHCUHLMSSA-N 2 1 409.534 2.041 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(Cc2ccccc2)no1 ZINC000745781602 1078639714 /nfs/dbraw/zinc/63/97/14/1078639714.db2.gz QWZBJRMGROETGD-IBGZPJMESA-N 2 1 414.554 2.218 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(Cc2ccccc2)no1 ZINC000745781603 1078640235 /nfs/dbraw/zinc/64/02/35/1078640235.db2.gz QWZBJRMGROETGD-LJQANCHMSA-N 2 1 414.554 2.218 20 0 HEADMP CC(C)CN1C(=O)C(=O)N(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000770650474 1078938254 /nfs/dbraw/zinc/93/82/54/1078938254.db2.gz DRLLNKSXNMVOCZ-UHFFFAOYSA-N 2 1 401.511 2.024 20 0 HEADMP CC(C)CN1C(=O)C(=O)N(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000770650474 1078938256 /nfs/dbraw/zinc/93/82/56/1078938256.db2.gz DRLLNKSXNMVOCZ-UHFFFAOYSA-N 2 1 401.511 2.024 20 0 HEADMP COCC[N@H+](C)CCCC1CC[NH+](CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000766377976 1078945571 /nfs/dbraw/zinc/94/55/71/1078945571.db2.gz GOIOHTRKXQZGNC-UHFFFAOYSA-N 2 1 402.539 2.483 20 0 HEADMP COCC[N@@H+](C)CCCC1CC[NH+](CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000766377976 1078945580 /nfs/dbraw/zinc/94/55/80/1078945580.db2.gz GOIOHTRKXQZGNC-UHFFFAOYSA-N 2 1 402.539 2.483 20 0 HEADMP CN(CC[N@@H+](C)C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C1CC[NH+](C)CC1 ZINC001168894483 1079063789 /nfs/dbraw/zinc/06/37/89/1079063789.db2.gz QWMCOTBYFZAFNB-REWPJTCUSA-N 2 1 424.630 2.360 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139980 1079144041 /nfs/dbraw/zinc/14/40/41/1079144041.db2.gz PGPXWDPAJHBPSH-NADOGSGZSA-N 2 1 413.595 2.329 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139980 1079144044 /nfs/dbraw/zinc/14/40/44/1079144044.db2.gz PGPXWDPAJHBPSH-NADOGSGZSA-N 2 1 413.595 2.329 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C1)C2 ZINC001169139980 1079144050 /nfs/dbraw/zinc/14/40/50/1079144050.db2.gz PGPXWDPAJHBPSH-NADOGSGZSA-N 2 1 413.595 2.329 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2nc(Cl)nc3c2CC[NH2+]CC3)c2ccccc12 ZINC001169112076 1079159666 /nfs/dbraw/zinc/15/96/66/1079159666.db2.gz NATNMEPJJRUOKM-NRFANRHFSA-N 2 1 413.909 2.195 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C1)C2 ZINC001169141226 1079163421 /nfs/dbraw/zinc/16/34/21/1079163421.db2.gz VWIZWOVXFHUZQR-UKIRVEGOSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C1)C2 ZINC001169141226 1079163426 /nfs/dbraw/zinc/16/34/26/1079163426.db2.gz VWIZWOVXFHUZQR-UKIRVEGOSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C1)C2 ZINC001169141226 1079163437 /nfs/dbraw/zinc/16/34/37/1079163437.db2.gz VWIZWOVXFHUZQR-UKIRVEGOSA-N 2 1 412.578 2.093 20 0 HEADMP CC[NH+]1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CC1 ZINC001169253777 1079213206 /nfs/dbraw/zinc/21/32/06/1079213206.db2.gz IHCYHMPMSDQMQY-NEWSRXKRSA-N 2 1 401.584 2.188 20 0 HEADMP CC[NH+]1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CC1 ZINC001169253777 1079213212 /nfs/dbraw/zinc/21/32/12/1079213212.db2.gz IHCYHMPMSDQMQY-NEWSRXKRSA-N 2 1 401.584 2.188 20 0 HEADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC001169609054 1079344618 /nfs/dbraw/zinc/34/46/18/1079344618.db2.gz HQHXNQAFLXZJAO-FGZHOGPDSA-N 2 1 407.599 2.227 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738367839 1075991465 /nfs/dbraw/zinc/99/14/65/1075991465.db2.gz YXDYPNPHPCADCI-ZDUSSCGKSA-N 2 1 409.383 2.425 20 0 HEADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000739035407 1076032132 /nfs/dbraw/zinc/03/21/32/1076032132.db2.gz OENPIPDYBPPBSS-QGZVFWFLSA-N 2 1 409.962 2.324 20 0 HEADMP C[NH+]1CCN(c2ccccc2NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000741266710 1076437084 /nfs/dbraw/zinc/43/70/84/1076437084.db2.gz OZGJDHCMMPQCFN-XMMPIXPASA-N 2 1 423.561 2.197 20 0 HEADMP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000743942869 1077237601 /nfs/dbraw/zinc/23/76/01/1077237601.db2.gz MBJDXJYSKIUULU-UHFFFAOYSA-N 2 1 415.582 2.005 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000744426060 1077388398 /nfs/dbraw/zinc/38/83/98/1077388398.db2.gz OGMIGWVZYXXNRA-IAFWPLRWSA-N 2 1 417.575 2.420 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744426060 1077388403 /nfs/dbraw/zinc/38/84/03/1077388403.db2.gz OGMIGWVZYXXNRA-IAFWPLRWSA-N 2 1 417.575 2.420 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000744426060 1077388410 /nfs/dbraw/zinc/38/84/10/1077388410.db2.gz OGMIGWVZYXXNRA-IAFWPLRWSA-N 2 1 417.575 2.420 20 0 HEADMP CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000745088402 1077725436 /nfs/dbraw/zinc/72/54/36/1077725436.db2.gz NKTWPNJVRSYFHB-SESVDKBCSA-N 2 1 401.551 2.429 20 0 HEADMP CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000745088402 1077725442 /nfs/dbraw/zinc/72/54/42/1077725442.db2.gz NKTWPNJVRSYFHB-SESVDKBCSA-N 2 1 401.551 2.429 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763658 1079519123 /nfs/dbraw/zinc/51/91/23/1079519123.db2.gz XCOBPWJXLWHTCD-UXHICEINSA-N 2 1 409.534 2.151 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763658 1079519128 /nfs/dbraw/zinc/51/91/28/1079519128.db2.gz XCOBPWJXLWHTCD-UXHICEINSA-N 2 1 409.534 2.151 20 0 HEADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000785730723 1080205419 /nfs/dbraw/zinc/20/54/19/1080205419.db2.gz NYCOHLWPHSPDSU-PMACEKPBSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000785730723 1080205434 /nfs/dbraw/zinc/20/54/34/1080205434.db2.gz NYCOHLWPHSPDSU-PMACEKPBSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000767938065 1080232381 /nfs/dbraw/zinc/23/23/81/1080232381.db2.gz UHGCBDWMWJNQHI-WOJBJXKFSA-N 2 1 412.538 2.143 20 0 HEADMP O=C(c1cccnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH2+]CC1 ZINC001164629000 719086857 /nfs/dbraw/zinc/08/68/57/719086857.db2.gz PQGUBVYBNLWHFE-UNMCSNQZSA-N 2 1 405.546 2.228 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164714962 720157362 /nfs/dbraw/zinc/15/73/62/720157362.db2.gz RVUAWPQZXBGUDV-HXUWFJFHSA-N 2 1 408.550 2.066 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164836519 720518007 /nfs/dbraw/zinc/51/80/07/720518007.db2.gz MVWNZFXOKNFVQK-BXWFABGCSA-N 2 1 415.973 2.350 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CCOCC4)[nH+]3)CC[C@@H]21 ZINC001164842870 720578652 /nfs/dbraw/zinc/57/86/52/720578652.db2.gz WCTNLMMWCNSCLH-HKBOAZHASA-N 2 1 410.566 2.493 20 0 HEADMP c1ncn(C[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743107 720846038 /nfs/dbraw/zinc/84/60/38/720846038.db2.gz IOKQYXKQEMTFOS-PWRODBHTSA-N 2 1 422.581 2.438 20 0 HEADMP c1ncn(C[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743107 720846039 /nfs/dbraw/zinc/84/60/39/720846039.db2.gz IOKQYXKQEMTFOS-PWRODBHTSA-N 2 1 422.581 2.438 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@@H]2CCCO[C@@H]12 ZINC001164795698 721526288 /nfs/dbraw/zinc/52/62/88/721526288.db2.gz RSKITCGAZXEYKB-GUDVDZBRSA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@@H]2CCCO[C@@H]12 ZINC001164795698 721526291 /nfs/dbraw/zinc/52/62/91/721526291.db2.gz RSKITCGAZXEYKB-GUDVDZBRSA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165022206 721804612 /nfs/dbraw/zinc/80/46/12/721804612.db2.gz IGSMUJFMTQJJQU-SESVDKBCSA-N 2 1 407.566 2.018 20 0 HEADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)c1 ZINC001164955252 722022291 /nfs/dbraw/zinc/02/22/91/722022291.db2.gz BZUUWXKUYULJQK-UHFFFAOYSA-N 2 1 408.550 2.495 20 0 HEADMP c1cc(N2CCOCC2)[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164962320 722058513 /nfs/dbraw/zinc/05/85/13/722058513.db2.gz QVFRNXXBHFSPDV-UHFFFAOYSA-N 2 1 423.561 2.432 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C1)C2 ZINC001170020683 1079110878 /nfs/dbraw/zinc/11/08/78/1079110878.db2.gz QURJZUOWEWUUAE-SFFUCWETSA-N 2 1 424.611 2.112 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[NH+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131601 1079151327 /nfs/dbraw/zinc/15/13/27/1079151327.db2.gz WHBIHSIIFRPUSH-WTEVXDJOSA-N 3 1 423.605 2.111 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[N@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131601 1079151333 /nfs/dbraw/zinc/15/13/33/1079151333.db2.gz WHBIHSIIFRPUSH-WTEVXDJOSA-N 3 1 423.605 2.111 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[N@@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131601 1079151339 /nfs/dbraw/zinc/15/13/39/1079151339.db2.gz WHBIHSIIFRPUSH-WTEVXDJOSA-N 3 1 423.605 2.111 20 0 HEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[N@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131601 1079151343 /nfs/dbraw/zinc/15/13/43/1079151343.db2.gz WHBIHSIIFRPUSH-WTEVXDJOSA-N 2 1 423.605 2.111 20 0 HEADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(C[N@@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC1)C2 ZINC001169131601 1079151349 /nfs/dbraw/zinc/15/13/49/1079151349.db2.gz WHBIHSIIFRPUSH-WTEVXDJOSA-N 2 1 423.605 2.111 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133471 1079152214 /nfs/dbraw/zinc/15/22/14/1079152214.db2.gz GVLXIMVWXRFUHP-UKIRVEGOSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133471 1079152215 /nfs/dbraw/zinc/15/22/15/1079152215.db2.gz GVLXIMVWXRFUHP-UKIRVEGOSA-N 2 1 412.578 2.093 20 0 HEADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3OCC[C@@H](C(=O)NCCc4ccccn4)[C@@H]3C1)C2 ZINC001169133471 1079152217 /nfs/dbraw/zinc/15/22/17/1079152217.db2.gz GVLXIMVWXRFUHP-UKIRVEGOSA-N 2 1 412.578 2.093 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CO1 ZINC001169392355 1079262532 /nfs/dbraw/zinc/26/25/32/1079262532.db2.gz PWFMWCKYOVYGHZ-NHCUHLMSSA-N 2 1 402.535 2.464 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CO1 ZINC001169391984 1079262566 /nfs/dbraw/zinc/26/25/66/1079262566.db2.gz MJHIEZPQUWHMAF-SFTDATJTSA-N 2 1 417.550 2.107 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000771359975 1079303402 /nfs/dbraw/zinc/30/34/02/1079303402.db2.gz VFFLIANFWRXZBY-WQMHRJNTSA-N 2 1 417.598 2.269 20 0 HEADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@@H](Nc2cnc(O[C@H]3CC[NH2+]C3)nc2)C1 ZINC001169521997 1079322225 /nfs/dbraw/zinc/32/22/25/1079322225.db2.gz UIXNGUPRJJKNPW-HOJAQTOUSA-N 2 1 411.506 2.088 20 0 HEADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169606312 1079343216 /nfs/dbraw/zinc/34/32/16/1079343216.db2.gz RMRGZDAGEQATBF-OALUTQOASA-N 2 1 406.596 2.457 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169606312 1079343221 /nfs/dbraw/zinc/34/32/21/1079343221.db2.gz RMRGZDAGEQATBF-OALUTQOASA-N 2 1 406.596 2.457 20 0 HEADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739084032 1076041682 /nfs/dbraw/zinc/04/16/82/1076041682.db2.gz CNUPROLDQMOVAZ-SFHVURJKSA-N 2 1 417.598 2.250 20 0 HEADMP CCOC(=O)N1CCC[NH+](CCCCC[N@@H+]2CCCN(C(=O)OCC)CC2)CC1 ZINC000740875480 1076277626 /nfs/dbraw/zinc/27/76/26/1076277626.db2.gz CVEMVFFEMUQJMW-UHFFFAOYSA-N 2 1 412.575 2.485 20 0 HEADMP O=C1CN(/C=C\c2ccccc2)C(=O)N1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000744442382 1077396920 /nfs/dbraw/zinc/39/69/20/1077396920.db2.gz ZAKHLAUCXYSPNB-NVNXTCNLSA-N 2 1 412.534 2.456 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763657 1079518807 /nfs/dbraw/zinc/51/88/07/1079518807.db2.gz XCOBPWJXLWHTCD-PMACEKPBSA-N 2 1 409.534 2.151 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763657 1079518815 /nfs/dbraw/zinc/51/88/15/1079518815.db2.gz XCOBPWJXLWHTCD-PMACEKPBSA-N 2 1 409.534 2.151 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763660 1079519081 /nfs/dbraw/zinc/51/90/81/1079519081.db2.gz XCOBPWJXLWHTCD-WOJBJXKFSA-N 2 1 409.534 2.151 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763660 1079519087 /nfs/dbraw/zinc/51/90/87/1079519087.db2.gz XCOBPWJXLWHTCD-WOJBJXKFSA-N 2 1 409.534 2.151 20 0 HEADMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990491 1079551242 /nfs/dbraw/zinc/55/12/42/1079551242.db2.gz SMKSPLVCIIDAMI-GOEBONIOSA-N 2 1 404.580 2.471 20 0 HEADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990491 1079551260 /nfs/dbraw/zinc/55/12/60/1079551260.db2.gz SMKSPLVCIIDAMI-GOEBONIOSA-N 2 1 404.580 2.471 20 0 HEADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990491 1079551274 /nfs/dbraw/zinc/55/12/74/1079551274.db2.gz SMKSPLVCIIDAMI-GOEBONIOSA-N 2 1 404.580 2.471 20 0 HEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@H]21 ZINC000766990491 1079551285 /nfs/dbraw/zinc/55/12/85/1079551285.db2.gz SMKSPLVCIIDAMI-GOEBONIOSA-N 2 1 404.580 2.471 20 0 HEADMP COC(=O)/C=C/c1ccc(OCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000767330747 1079808109 /nfs/dbraw/zinc/80/81/09/1079808109.db2.gz IJPNBHHDKGREBW-BRQYYXMRSA-N 2 1 401.551 2.209 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[NH+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650957 1080101169 /nfs/dbraw/zinc/10/11/69/1080101169.db2.gz GEYKXWYKFROHNA-AZUAARDMSA-N 2 1 405.514 2.134 20 0 HEADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650957 1080101195 /nfs/dbraw/zinc/10/11/95/1080101195.db2.gz GEYKXWYKFROHNA-AZUAARDMSA-N 2 1 405.514 2.134 20 0 HEADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)CC1=O ZINC000785650957 1080101208 /nfs/dbraw/zinc/10/12/08/1080101208.db2.gz GEYKXWYKFROHNA-AZUAARDMSA-N 2 1 405.514 2.134 20 0 HEADMP C[C@@H]1[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164866 1080434810 /nfs/dbraw/zinc/43/48/10/1080434810.db2.gz BIZMKGPBYDATCX-HZPDHXFCSA-N 2 1 403.527 2.417 20 0 HEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(CC(C)C)C2CC2)CC[N@@H+]1C ZINC001109307269 1080574348 /nfs/dbraw/zinc/57/43/48/1080574348.db2.gz BSSUNRJDZIJEHH-IFLJBQAJSA-N 2 1 404.599 2.085 20 0 HEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)N(CC(C)C)C2CC2)CC[N@H+]1C ZINC001109307269 1080574357 /nfs/dbraw/zinc/57/43/57/1080574357.db2.gz BSSUNRJDZIJEHH-IFLJBQAJSA-N 2 1 404.599 2.085 20 0 HEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(CC(C)C)C2CC2)CC[NH+]1C ZINC001109307269 1080574363 /nfs/dbraw/zinc/57/43/63/1080574363.db2.gz BSSUNRJDZIJEHH-IFLJBQAJSA-N 2 1 404.599 2.085 20 0 HEADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(CC(C)C)C2CC2)CC[NH+]1C ZINC001109307269 1080574373 /nfs/dbraw/zinc/57/43/73/1080574373.db2.gz BSSUNRJDZIJEHH-IFLJBQAJSA-N 2 1 404.599 2.085 20 0 HEADMP C[NH+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769077888 1080929054 /nfs/dbraw/zinc/92/90/54/1080929054.db2.gz SXIIPPHXVUGSJX-UHFFFAOYSA-N 2 1 404.555 2.354 20 0 HEADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000769120635 1080941930 /nfs/dbraw/zinc/94/19/30/1080941930.db2.gz CWGSDRDJBAPHPI-QZTJIDSGSA-N 2 1 410.603 2.460 20 0 HEADMP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000769512144 1081103004 /nfs/dbraw/zinc/10/30/04/1081103004.db2.gz JJIKEQPNXCZDTK-AZUAARDMSA-N 2 1 412.619 2.264 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(-c2cc(NC(=O)OC(C)(C)C)ncn2)c2c1CC[NH2+]C2 ZINC001164685837 719609663 /nfs/dbraw/zinc/60/96/63/719609663.db2.gz WPJQIQQQGMJJTR-UHFFFAOYSA-N 2 1 401.515 2.495 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(NC(=O)OC(C)(C)C)ncn2)c2c1CC[NH2+]C2 ZINC001164685837 719609672 /nfs/dbraw/zinc/60/96/72/719609672.db2.gz WPJQIQQQGMJJTR-UHFFFAOYSA-N 2 1 401.515 2.495 20 0 HEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C[NH+]1CCCC1)CCC2 ZINC001164815110 720245826 /nfs/dbraw/zinc/24/58/26/720245826.db2.gz AMUTYLXPVKNMMS-UHFFFAOYSA-N 2 1 410.566 2.485 20 0 HEADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1 ZINC001164817361 720249893 /nfs/dbraw/zinc/24/98/93/720249893.db2.gz QPIVFPKYRUARQO-IBGZPJMESA-N 2 1 424.549 2.280 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834737 720508566 /nfs/dbraw/zinc/50/85/66/720508566.db2.gz HKDKMUGPOSUDTP-JTDSTZFVSA-N 2 1 415.973 2.350 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CCOCC4)[nH+]3)CC[C@@H]21 ZINC001164842869 720578598 /nfs/dbraw/zinc/57/85/98/720578598.db2.gz WCTNLMMWCNSCLH-ACRUOGEOSA-N 2 1 410.566 2.493 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164762490 721179453 /nfs/dbraw/zinc/17/94/53/721179453.db2.gz CJSZNAXGWSNJOI-NHCUHLMSSA-N 2 1 410.566 2.248 20 0 HEADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C(C)(C)c3ccnc(Cl)c3)CC2)C1 ZINC001164877958 721293003 /nfs/dbraw/zinc/29/30/03/721293003.db2.gz QFZAKEFMRBBAAE-UHFFFAOYSA-N 2 1 408.974 2.473 20 0 HEADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@@H]3C2)c1 ZINC001164984589 722133167 /nfs/dbraw/zinc/13/31/67/722133167.db2.gz XJCSHWTVYXMBNM-RTWAWAEBSA-N 2 1 409.534 2.041 20 0 HEADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3C2)c1 ZINC001164984590 722133251 /nfs/dbraw/zinc/13/32/51/722133251.db2.gz XJCSHWTVYXMBNM-SFTDATJTSA-N 2 1 409.534 2.041 20 0 HEADMP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000746502860 1078847735 /nfs/dbraw/zinc/84/77/35/1078847735.db2.gz LTEPRPMAFBIBPY-AUSIDOKSSA-N 2 1 412.534 2.031 20 0 HEADMP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000746502860 1078847736 /nfs/dbraw/zinc/84/77/36/1078847736.db2.gz LTEPRPMAFBIBPY-AUSIDOKSSA-N 2 1 412.534 2.031 20 0 HEADMP O=C1N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000746502860 1078847738 /nfs/dbraw/zinc/84/77/38/1078847738.db2.gz LTEPRPMAFBIBPY-AUSIDOKSSA-N 2 1 412.534 2.031 20 0 HEADMP O=C1N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000746502860 1078847740 /nfs/dbraw/zinc/84/77/40/1078847740.db2.gz LTEPRPMAFBIBPY-AUSIDOKSSA-N 2 1 412.534 2.031 20 0 HEADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865467 1079057739 /nfs/dbraw/zinc/05/77/39/1079057739.db2.gz MRPNEPZLHSDNPU-GFEQUFNTSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865467 1079057744 /nfs/dbraw/zinc/05/77/44/1079057744.db2.gz MRPNEPZLHSDNPU-GFEQUFNTSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865467 1079057748 /nfs/dbraw/zinc/05/77/48/1079057748.db2.gz MRPNEPZLHSDNPU-GFEQUFNTSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865467 1079057751 /nfs/dbraw/zinc/05/77/51/1079057751.db2.gz MRPNEPZLHSDNPU-GFEQUFNTSA-N 2 1 404.559 2.071 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001169116514 1079140633 /nfs/dbraw/zinc/14/06/33/1079140633.db2.gz XWDKSOAKFOISLI-XMMPIXPASA-N 2 1 406.530 2.469 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc3c(C4C[NH2+]C4)ncn3c2)c2ccccc12 ZINC001169116636 1079140652 /nfs/dbraw/zinc/14/06/52/1079140652.db2.gz YOHFKMKGKPZEAI-QHCPKHFHSA-N 2 1 403.486 2.398 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2nccc(C[NH3+])c2C(OC)OC)c2ccccc12 ZINC001169109923 1079158019 /nfs/dbraw/zinc/15/80/19/1079158019.db2.gz AEVLEICTRBCUIS-JOCHJYFZSA-N 2 1 412.490 2.209 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)c2ccccc12 ZINC001169113223 1079160919 /nfs/dbraw/zinc/16/09/19/1079160919.db2.gz NQZRSQNPWYELHX-IQMFZBJNSA-N 2 1 418.501 2.183 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CO1 ZINC001169387713 1079258046 /nfs/dbraw/zinc/25/80/46/1079258046.db2.gz OJASOQMEFONFHB-NSHGMRRFSA-N 2 1 406.523 2.446 20 0 HEADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@H](Nc2ncccc2N2CC[NH2+]CC2)C1 ZINC001169514769 1079319189 /nfs/dbraw/zinc/31/91/89/1079319189.db2.gz QZUPXGRNRVYZEK-TZIWHRDSSA-N 2 1 409.534 2.362 20 0 HEADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC001169554152 1079330437 /nfs/dbraw/zinc/33/04/37/1079330437.db2.gz HWWRVTXIWHYIFR-CNNODRBYSA-N 2 1 413.603 2.475 20 0 HEADMP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000739035403 1076032262 /nfs/dbraw/zinc/03/22/62/1076032262.db2.gz OENPIPDYBPPBSS-KRWDZBQOSA-N 2 1 409.962 2.324 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 ZINC000743147994 1076977263 /nfs/dbraw/zinc/97/72/63/1076977263.db2.gz WHYXSEKORFABHK-IBGZPJMESA-N 2 1 405.543 2.200 20 0 HEADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000743477644 1077055250 /nfs/dbraw/zinc/05/52/50/1077055250.db2.gz MNCOYYVVGZPKLJ-QGZVFWFLSA-N 2 1 415.582 2.002 20 0 HEADMP CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000745023214 1077708443 /nfs/dbraw/zinc/70/84/43/1077708443.db2.gz ZELNPYDFIQLKSO-FQEVSTJZSA-N 2 1 401.551 2.431 20 0 HEADMP CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000745088400 1077725192 /nfs/dbraw/zinc/72/51/92/1077725192.db2.gz NKTWPNJVRSYFHB-CEWLAPEOSA-N 2 1 401.551 2.429 20 0 HEADMP CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000745088400 1077725198 /nfs/dbraw/zinc/72/51/98/1077725198.db2.gz NKTWPNJVRSYFHB-CEWLAPEOSA-N 2 1 401.551 2.429 20 0 HEADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363264 1079830407 /nfs/dbraw/zinc/83/04/07/1079830407.db2.gz JARATYHBGGHWJW-RBUKOAKNSA-N 2 1 408.587 2.262 20 0 HEADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363264 1079830412 /nfs/dbraw/zinc/83/04/12/1079830412.db2.gz JARATYHBGGHWJW-RBUKOAKNSA-N 2 1 408.587 2.262 20 0 HEADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363264 1079830415 /nfs/dbraw/zinc/83/04/15/1079830415.db2.gz JARATYHBGGHWJW-RBUKOAKNSA-N 2 1 408.587 2.262 20 0 HEADMP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000785519603 1080032908 /nfs/dbraw/zinc/03/29/08/1080032908.db2.gz HJQCBYUGPLNKJX-DEOSSOPVSA-N 2 1 414.594 2.253 20 0 HEADMP Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000785730484 1080204116 /nfs/dbraw/zinc/20/41/16/1080204116.db2.gz GRWJKSSBCUQJIT-RTBURBONSA-N 2 1 401.551 2.492 20 0 HEADMP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC001169989112 1080396695 /nfs/dbraw/zinc/39/66/95/1080396695.db2.gz BJIMWMYCLLDMHN-QFIPXVFZSA-N 2 1 414.594 2.079 20 0 HEADMP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768222186 1080427540 /nfs/dbraw/zinc/42/75/40/1080427540.db2.gz FRUKYXUZWLHVCV-UYAOXDASSA-N 2 1 410.603 2.018 20 0 HEADMP CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2)C1CCCCC1 ZINC001109305414 1080588565 /nfs/dbraw/zinc/58/85/65/1080588565.db2.gz IAANMPWHHRCLBR-JFHUYLGKSA-N 2 1 404.599 2.229 20 0 HEADMP CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2)C1CCCCC1 ZINC001109305414 1080588576 /nfs/dbraw/zinc/58/85/76/1080588576.db2.gz IAANMPWHHRCLBR-JFHUYLGKSA-N 2 1 404.599 2.229 20 0 HEADMP CCN(C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2)C1CCCCC1 ZINC001109305414 1080588586 /nfs/dbraw/zinc/58/85/86/1080588586.db2.gz IAANMPWHHRCLBR-JFHUYLGKSA-N 2 1 404.599 2.229 20 0 HEADMP CCN(C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2)C1CCCCC1 ZINC001109305414 1080588595 /nfs/dbraw/zinc/58/85/95/1080588595.db2.gz IAANMPWHHRCLBR-JFHUYLGKSA-N 2 1 404.599 2.229 20 0 HEADMP Cc1ccccc1OCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109443240 1081010944 /nfs/dbraw/zinc/01/09/44/1081010944.db2.gz ZQADDUVOPCGVNH-JXDTVZCFSA-N 2 1 401.551 2.205 20 0 HEADMP Cc1ccccc1OCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109443240 1081010952 /nfs/dbraw/zinc/01/09/52/1081010952.db2.gz ZQADDUVOPCGVNH-JXDTVZCFSA-N 2 1 401.551 2.205 20 0 HEADMP Cc1ccccc1OCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443240 1081010960 /nfs/dbraw/zinc/01/09/60/1081010960.db2.gz ZQADDUVOPCGVNH-JXDTVZCFSA-N 2 1 401.551 2.205 20 0 HEADMP Cc1ccccc1OCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443240 1081010971 /nfs/dbraw/zinc/01/09/71/1081010971.db2.gz ZQADDUVOPCGVNH-JXDTVZCFSA-N 2 1 401.551 2.205 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc(C(N)=O)c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164684274 719606083 /nfs/dbraw/zinc/60/60/83/719606083.db2.gz OCJZUDHJZVBEPT-UHFFFAOYSA-N 2 1 412.872 2.114 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc(C(N)=O)c(Cl)n2)c2c1CC[NH2+]C2 ZINC001164684274 719606089 /nfs/dbraw/zinc/60/60/89/719606089.db2.gz OCJZUDHJZVBEPT-UHFFFAOYSA-N 2 1 412.872 2.114 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164819617 720295196 /nfs/dbraw/zinc/29/51/96/720295196.db2.gz FCWSJVAFUCBRGU-UXHICEINSA-N 2 1 412.582 2.297 20 0 HEADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]cc21 ZINC001164766071 721186994 /nfs/dbraw/zinc/18/69/94/721186994.db2.gz IWMZGNGEPAWOEQ-DLBZAZTESA-N 2 1 408.506 2.431 20 0 HEADMP Cc1cccc(N(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164777029 721329450 /nfs/dbraw/zinc/32/94/50/721329450.db2.gz KLMRWLGVKRPGQD-REWPJTCUSA-N 2 1 408.550 2.196 20 0 HEADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164792823 721492188 /nfs/dbraw/zinc/49/21/88/721492188.db2.gz MUPKJPVAUIJUGH-UHFFFAOYSA-N 2 1 407.566 2.162 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164803672 721535987 /nfs/dbraw/zinc/53/59/87/721535987.db2.gz IRUXBHUJYAKYCB-GUDVDZBRSA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164803672 721535993 /nfs/dbraw/zinc/53/59/93/721535993.db2.gz IRUXBHUJYAKYCB-GUDVDZBRSA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164798111 721571292 /nfs/dbraw/zinc/57/12/92/721571292.db2.gz ADVGIHNZWPQFMX-LGVFNWMJSA-N 2 1 422.577 2.272 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164798109 721571499 /nfs/dbraw/zinc/57/14/99/721571499.db2.gz ADVGIHNZWPQFMX-IMSXRSKXSA-N 2 1 422.577 2.272 20 0 HEADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001164910812 721755582 /nfs/dbraw/zinc/75/55/82/721755582.db2.gz RXGGQINDNVXJED-UHFFFAOYSA-N 2 1 419.533 2.069 20 0 HEADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cncc(N3CC[NH2+]CC3)n1)C2 ZINC001164910812 721755584 /nfs/dbraw/zinc/75/55/84/721755584.db2.gz RXGGQINDNVXJED-UHFFFAOYSA-N 2 1 419.533 2.069 20 0 HEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978435 722123309 /nfs/dbraw/zinc/12/33/09/722123309.db2.gz OQBUVZGLQCETND-FPOVZHCZSA-N 2 1 422.533 2.200 20 0 HEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978435 722123314 /nfs/dbraw/zinc/12/33/14/722123314.db2.gz OQBUVZGLQCETND-FPOVZHCZSA-N 2 1 422.533 2.200 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164978101 722134778 /nfs/dbraw/zinc/13/47/78/722134778.db2.gz JVUSYVGIMWNXIJ-UNMCSNQZSA-N 3 1 422.577 2.131 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000745852596 1078670686 /nfs/dbraw/zinc/67/06/86/1078670686.db2.gz RYATXABTHJNTKZ-RTWAWAEBSA-N 2 1 415.582 2.158 20 0 HEADMP CC(C)NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745990380 1078721778 /nfs/dbraw/zinc/72/17/78/1078721778.db2.gz CYGZWWDMFAAYKK-UHFFFAOYSA-N 2 1 416.566 2.340 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745813996 1078927747 /nfs/dbraw/zinc/92/77/47/1078927747.db2.gz HUNOUOUCTSRXHS-ZWKOTPCHSA-N 2 1 411.591 2.053 20 0 HEADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)CC1 ZINC001168838542 1079049980 /nfs/dbraw/zinc/04/99/80/1079049980.db2.gz NYAYIMJVSVTTPJ-UHFFFAOYSA-N 2 1 420.623 2.118 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C1)C2 ZINC001170020681 1079110330 /nfs/dbraw/zinc/11/03/30/1079110330.db2.gz QURJZUOWEWUUAE-JCECYMMASA-N 2 1 424.611 2.112 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCc1ccccc1)C2 ZINC001169107415 1079157906 /nfs/dbraw/zinc/15/79/06/1079157906.db2.gz GEFWOUVVUVMMQF-WBDAEOGXSA-N 2 1 406.567 2.468 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001169114588 1079161908 /nfs/dbraw/zinc/16/19/08/1079161908.db2.gz DAKAPBHFCFCRJM-DEOSSOPVSA-N 2 1 420.513 2.109 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC3(CC2)OCC(=O)N(Cc2cccc(C)n2)[C@H]3C)CC1 ZINC001169248864 1079211474 /nfs/dbraw/zinc/21/14/74/1079211474.db2.gz CZHZBDVTPUGLIJ-IBGZPJMESA-N 2 1 400.567 2.456 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CO1 ZINC001169387712 1079258204 /nfs/dbraw/zinc/25/82/04/1079258204.db2.gz OJASOQMEFONFHB-HBFSDRIKSA-N 2 1 406.523 2.446 20 0 HEADMP CC(=O)N1CCC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001169616647 1079353443 /nfs/dbraw/zinc/35/34/43/1079353443.db2.gz LSLPBCQAPNLJDD-QHCPKHFHSA-N 2 1 412.578 2.054 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001169695422 1079376102 /nfs/dbraw/zinc/37/61/02/1079376102.db2.gz XCRMQAMVSWJUOJ-LJQANCHMSA-N 2 1 417.554 2.056 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001169695422 1079376108 /nfs/dbraw/zinc/37/61/08/1079376108.db2.gz XCRMQAMVSWJUOJ-LJQANCHMSA-N 2 1 417.554 2.056 20 0 HEADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000766799621 1079387360 /nfs/dbraw/zinc/38/73/60/1079387360.db2.gz COKDHUQZNQTBKR-QFIPXVFZSA-N 2 1 424.630 2.410 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739085742 1076041788 /nfs/dbraw/zinc/04/17/88/1076041788.db2.gz IFUUNKXNHMJONR-OAQYLSRUSA-N 2 1 415.582 2.004 20 0 HEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000740650142 1076209235 /nfs/dbraw/zinc/20/92/35/1076209235.db2.gz CZYWTOWMBJGFMW-UHFFFAOYSA-N 2 1 424.473 2.011 20 0 HEADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000740818654 1076245147 /nfs/dbraw/zinc/24/51/47/1076245147.db2.gz AYIGOVHCIXCBOU-UHFFFAOYSA-N 2 1 408.911 2.143 20 0 HEADMP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1C[NH+]1CCC2(C1)CCOCC2 ZINC000743406706 1077047731 /nfs/dbraw/zinc/04/77/31/1077047731.db2.gz YWRCSBLEANCKEN-HSZRJFAPSA-N 2 1 412.534 2.033 20 0 HEADMP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[NH+]1CCC2(C1)CCOCC2 ZINC000743406706 1077047736 /nfs/dbraw/zinc/04/77/36/1077047736.db2.gz YWRCSBLEANCKEN-HSZRJFAPSA-N 2 1 412.534 2.033 20 0 HEADMP O=C1N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000743406706 1077047742 /nfs/dbraw/zinc/04/77/42/1077047742.db2.gz YWRCSBLEANCKEN-HSZRJFAPSA-N 2 1 412.534 2.033 20 0 HEADMP O=C1N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@H+]1CCC2(C1)CCOCC2 ZINC000743406706 1077047747 /nfs/dbraw/zinc/04/77/47/1077047747.db2.gz YWRCSBLEANCKEN-HSZRJFAPSA-N 2 1 412.534 2.033 20 0 HEADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000743593169 1077071360 /nfs/dbraw/zinc/07/13/60/1077071360.db2.gz ATNGQUWANOPCTN-BHIFYINESA-N 2 1 400.567 2.403 20 0 HEADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000743593169 1077071364 /nfs/dbraw/zinc/07/13/64/1077071364.db2.gz ATNGQUWANOPCTN-BHIFYINESA-N 2 1 400.567 2.403 20 0 HEADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000743593169 1077071368 /nfs/dbraw/zinc/07/13/68/1077071368.db2.gz ATNGQUWANOPCTN-BHIFYINESA-N 2 1 400.567 2.403 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763659 1079518953 /nfs/dbraw/zinc/51/89/53/1079518953.db2.gz XCOBPWJXLWHTCD-VQTJNVASSA-N 2 1 409.534 2.151 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763659 1079518960 /nfs/dbraw/zinc/51/89/60/1079518960.db2.gz XCOBPWJXLWHTCD-VQTJNVASSA-N 2 1 409.534 2.151 20 0 HEADMP COc1ccc(COCC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C3)cc1 ZINC001109304185 1080587326 /nfs/dbraw/zinc/58/73/26/1080587326.db2.gz NYPWACOHTAJPGE-QOVBHOHNSA-N 2 1 401.551 2.274 20 0 HEADMP COc1ccc(COCC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cc1 ZINC001109304185 1080587336 /nfs/dbraw/zinc/58/73/36/1080587336.db2.gz NYPWACOHTAJPGE-QOVBHOHNSA-N 2 1 401.551 2.274 20 0 HEADMP COc1ccc(COCC[NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)cc1 ZINC001109304185 1080587346 /nfs/dbraw/zinc/58/73/46/1080587346.db2.gz NYPWACOHTAJPGE-QOVBHOHNSA-N 2 1 401.551 2.274 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000769504593 1081099563 /nfs/dbraw/zinc/09/95/63/1081099563.db2.gz GXTCFVVSNBUQTF-OKZBNKHCSA-N 2 1 414.472 2.471 20 0 HEADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769562171 1081125786 /nfs/dbraw/zinc/12/57/86/1081125786.db2.gz GCSUAJGBZDGFCB-UHFFFAOYSA-N 2 1 418.586 2.496 20 0 HEADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769562171 1081125789 /nfs/dbraw/zinc/12/57/89/1081125789.db2.gz GCSUAJGBZDGFCB-UHFFFAOYSA-N 2 1 418.586 2.496 20 0 HEADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769563135 1081126429 /nfs/dbraw/zinc/12/64/29/1081126429.db2.gz QUPXBMACKCZLIJ-UHFFFAOYSA-N 2 1 406.575 2.211 20 0 HEADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769563135 1081126448 /nfs/dbraw/zinc/12/64/48/1081126448.db2.gz QUPXBMACKCZLIJ-UHFFFAOYSA-N 2 1 406.575 2.211 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]1 ZINC001164819616 720295729 /nfs/dbraw/zinc/29/57/29/720295729.db2.gz FCWSJVAFUCBRGU-PMACEKPBSA-N 2 1 412.582 2.297 20 0 HEADMP [NH3+]Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncn1 ZINC001164757166 720882801 /nfs/dbraw/zinc/88/28/01/720882801.db2.gz TXUTWICDDSGCGI-REWPJTCUSA-N 2 1 408.550 2.085 20 0 HEADMP CCOC(=O)c1c[nH]c2cc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]cc21 ZINC001164766077 721188102 /nfs/dbraw/zinc/18/81/02/721188102.db2.gz IWMZGNGEPAWOEQ-IAGOWNOFSA-N 2 1 408.506 2.431 20 0 HEADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898267 721432254 /nfs/dbraw/zinc/43/22/54/721432254.db2.gz VNVRRFZHSMOBSX-LADGPHEKSA-N 2 1 413.610 2.443 20 0 HEADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905819 721543486 /nfs/dbraw/zinc/54/34/86/721543486.db2.gz IONRWWDYSQXYDR-PZJWPPBQSA-N 2 1 411.525 2.314 20 0 HEADMP FC1(F)CCN(c2ncc3c(n2)CC[NH2+]C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906271 721691671 /nfs/dbraw/zinc/69/16/71/721691671.db2.gz MXHNTAOTZLZGTK-FQEVSTJZSA-N 2 1 400.477 2.255 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@@H]21 ZINC001165026172 721814649 /nfs/dbraw/zinc/81/46/49/721814649.db2.gz PJFNXVUKKRWDIS-HLAWJBBLSA-N 2 1 407.566 2.018 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000745852597 1078670782 /nfs/dbraw/zinc/67/07/82/1078670782.db2.gz RYATXABTHJNTKZ-SFTDATJTSA-N 2 1 415.582 2.158 20 0 HEADMP COCC[N@H+](C)CCCC1CC[NH+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000766375297 1078944404 /nfs/dbraw/zinc/94/44/04/1078944404.db2.gz TWNTYUFTPKQNPJ-UHFFFAOYSA-N 2 1 422.570 2.138 20 0 HEADMP COCC[N@@H+](C)CCCC1CC[NH+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000766375297 1078944409 /nfs/dbraw/zinc/94/44/09/1078944409.db2.gz TWNTYUFTPKQNPJ-UHFFFAOYSA-N 2 1 422.570 2.138 20 0 HEADMP CC(C)CN1N=C(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1=O ZINC000766410854 1078963096 /nfs/dbraw/zinc/96/30/96/1078963096.db2.gz GPKWBFLQQAOQRL-UHFFFAOYSA-N 2 1 419.614 2.276 20 0 HEADMP COC(=O)[C@@H](C[NH3+])Cc1ccc(-n2cc(C[C@](C)([NH3+])C(=O)OC)c3ccccc32)cc1 ZINC001169117727 1079141791 /nfs/dbraw/zinc/14/17/91/1079141791.db2.gz XMGRPLXJGPZFGE-OSPHWJPCSA-N 2 1 423.513 2.354 20 0 HEADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2nc(Cl)nc3c2CC[NH2+]CC3)c2ccccc12 ZINC001169112077 1079159896 /nfs/dbraw/zinc/15/98/96/1079159896.db2.gz NATNMEPJJRUOKM-OAQYLSRUSA-N 2 1 413.909 2.195 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)CO1 ZINC001169384529 1079255526 /nfs/dbraw/zinc/25/55/26/1079255526.db2.gz FWKMGXPFFBSUQH-ACRUOGEOSA-N 2 1 417.550 2.248 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000743078175 1076945569 /nfs/dbraw/zinc/94/55/69/1076945569.db2.gz IMVLFXVUQUBMBO-NRFANRHFSA-N 2 1 403.571 2.187 20 0 HEADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000743080143 1076946224 /nfs/dbraw/zinc/94/62/24/1076946224.db2.gz SYNYTKCQNAHMQK-FQEVSTJZSA-N 2 1 416.614 2.224 20 0 HEADMP COC(=O)/C=C\c1ccc(OCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000767330750 1079808125 /nfs/dbraw/zinc/80/81/25/1079808125.db2.gz IJPNBHHDKGREBW-PBHXVAMFSA-N 2 1 401.551 2.209 20 0 HEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363263 1079830382 /nfs/dbraw/zinc/83/03/82/1079830382.db2.gz JARATYHBGGHWJW-OALUTQOASA-N 2 1 408.587 2.262 20 0 HEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363263 1079830385 /nfs/dbraw/zinc/83/03/85/1079830385.db2.gz JARATYHBGGHWJW-OALUTQOASA-N 2 1 408.587 2.262 20 0 HEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363263 1079830388 /nfs/dbraw/zinc/83/03/88/1079830388.db2.gz JARATYHBGGHWJW-OALUTQOASA-N 2 1 408.587 2.262 20 0 HEADMP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769331624 1081044815 /nfs/dbraw/zinc/04/48/15/1081044815.db2.gz USFKOKHHGVXEIK-IBGZPJMESA-N 2 1 418.586 2.450 20 0 HEADMP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769331624 1081044820 /nfs/dbraw/zinc/04/48/20/1081044820.db2.gz USFKOKHHGVXEIK-IBGZPJMESA-N 2 1 418.586 2.450 20 0 HEADMP CCOC(=O)C1CC[NH+](C2CCN(c3cccc(N4CCC([NH3+])CC4)n3)CC2)CC1 ZINC001164616319 719030340 /nfs/dbraw/zinc/03/03/40/719030340.db2.gz AIVKRDGTEFYWEC-UHFFFAOYSA-N 2 1 415.582 2.253 20 0 HEADMP COC(=O)c1nc(Cl)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)n1 ZINC001164680637 719651981 /nfs/dbraw/zinc/65/19/81/719651981.db2.gz GPKJUTAOWWQGJL-UHFFFAOYSA-N 2 1 413.309 2.242 20 0 HEADMP COC(=O)c1nc(Cl)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)n1 ZINC001164680637 719651988 /nfs/dbraw/zinc/65/19/88/719651988.db2.gz GPKJUTAOWWQGJL-UHFFFAOYSA-N 2 1 413.309 2.242 20 0 HEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c12 ZINC001164805941 720089202 /nfs/dbraw/zinc/08/92/02/720089202.db2.gz BFRNWYIPUCGBPH-AOMKIAJQSA-N 2 1 413.522 2.319 20 0 HEADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c12 ZINC001164805941 720089208 /nfs/dbraw/zinc/08/92/08/720089208.db2.gz BFRNWYIPUCGBPH-AOMKIAJQSA-N 2 1 413.522 2.319 20 0 HEADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164837281 720558705 /nfs/dbraw/zinc/55/87/05/720558705.db2.gz LOQLKHLRXQAULF-SOLBZPMBSA-N 2 1 423.521 2.319 20 0 HEADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164837281 720558714 /nfs/dbraw/zinc/55/87/14/720558714.db2.gz LOQLKHLRXQAULF-SOLBZPMBSA-N 2 1 423.521 2.319 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800905 721567934 /nfs/dbraw/zinc/56/79/34/721567934.db2.gz FUVQZLVNXLVKLE-BHDDXSALSA-N 2 1 408.550 2.207 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164800905 721567939 /nfs/dbraw/zinc/56/79/39/721567939.db2.gz FUVQZLVNXLVKLE-BHDDXSALSA-N 2 1 408.550 2.207 20 0 HEADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1CC[NH2+]CC3)C2 ZINC001164910030 721744844 /nfs/dbraw/zinc/74/48/44/721744844.db2.gz YTFMNHGVYDYEJX-UHFFFAOYSA-N 2 1 404.518 2.348 20 0 HEADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncnc3c1CC[NH2+]CC3)C2 ZINC001164910030 721744851 /nfs/dbraw/zinc/74/48/51/721744851.db2.gz YTFMNHGVYDYEJX-UHFFFAOYSA-N 2 1 404.518 2.348 20 0 HEADMP c1cc(C[N@H+]2CCOCC3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2)ccn1 ZINC001164962492 722058215 /nfs/dbraw/zinc/05/82/15/722058215.db2.gz SMFHDELMCAHQGL-UHFFFAOYSA-N 2 1 422.577 2.005 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164978097 722135221 /nfs/dbraw/zinc/13/52/21/722135221.db2.gz JVUSYVGIMWNXIJ-IRLDBZIGSA-N 3 1 422.577 2.131 20 0 HEADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000769759687 1078544083 /nfs/dbraw/zinc/54/40/83/1078544083.db2.gz JEMSZXWVRYFELJ-LJQANCHMSA-N 2 1 403.640 2.141 20 0 HEADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000745988576 1078720631 /nfs/dbraw/zinc/72/06/31/1078720631.db2.gz BYEVIZKMBQPWLK-UHFFFAOYSA-N 2 1 414.550 2.094 20 0 HEADMP COC(=O)C1(C)CCC([N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001168781777 1078903898 /nfs/dbraw/zinc/90/38/98/1078903898.db2.gz GGQSWUPXBNYBGL-VWDUAXENSA-N 2 1 407.599 2.369 20 0 HEADMP COC(=O)C1(C)CCC([N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001168781777 1078903904 /nfs/dbraw/zinc/90/39/04/1078903904.db2.gz GGQSWUPXBNYBGL-VWDUAXENSA-N 2 1 407.599 2.369 20 0 HEADMP COC(=O)C1(C)CCC([N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001168781777 1078903910 /nfs/dbraw/zinc/90/39/10/1078903910.db2.gz GGQSWUPXBNYBGL-VWDUAXENSA-N 2 1 407.599 2.369 20 0 HEADMP C[C@H]1C[C@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849872 1079061078 /nfs/dbraw/zinc/06/10/78/1079061078.db2.gz MDYDNRKLCYTSPF-HKUYNNGSSA-N 2 1 418.582 2.208 20 0 HEADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(CO)Cc3ccccc3OC)CC2)CC1 ZINC001169091698 1079139273 /nfs/dbraw/zinc/13/92/73/1079139273.db2.gz BEUXSAMJQWVWJL-DEOSSOPVSA-N 2 1 417.594 2.301 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@@]3(CCC[N@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)n1 ZINC001169128641 1079147583 /nfs/dbraw/zinc/14/75/83/1079147583.db2.gz GCKBADXYOFPCED-QTDGGUCWSA-N 2 1 414.598 2.087 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@@]3(CCC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)n1 ZINC001169128641 1079147589 /nfs/dbraw/zinc/14/75/89/1079147589.db2.gz GCKBADXYOFPCED-QTDGGUCWSA-N 2 1 414.598 2.087 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@@]3(CCC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)n1 ZINC001169128641 1079147593 /nfs/dbraw/zinc/14/75/93/1079147593.db2.gz GCKBADXYOFPCED-QTDGGUCWSA-N 2 1 414.598 2.087 20 0 HEADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2nccc(C[NH3+])c2C(OC)OC)c2ccccc12 ZINC001169109927 1079157869 /nfs/dbraw/zinc/15/78/69/1079157869.db2.gz AEVLEICTRBCUIS-QFIPXVFZSA-N 2 1 412.490 2.209 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CO1 ZINC001169391982 1079262254 /nfs/dbraw/zinc/26/22/54/1079262254.db2.gz MJHIEZPQUWHMAF-NHCUHLMSSA-N 2 1 417.550 2.107 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)CC1 ZINC001169694771 1079375132 /nfs/dbraw/zinc/37/51/32/1079375132.db2.gz SOWBRYABHRPUPQ-CGXNFDGLSA-N 2 1 418.586 2.462 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)CC1 ZINC001169694771 1079375138 /nfs/dbraw/zinc/37/51/38/1079375138.db2.gz SOWBRYABHRPUPQ-CGXNFDGLSA-N 2 1 418.586 2.462 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)CC1 ZINC001169694771 1079375142 /nfs/dbraw/zinc/37/51/42/1079375142.db2.gz SOWBRYABHRPUPQ-CGXNFDGLSA-N 2 1 418.586 2.462 20 0 HEADMP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 ZINC000738068093 1075957665 /nfs/dbraw/zinc/95/76/65/1075957665.db2.gz XBQOSMWSCHEALA-UHFFFAOYSA-N 2 1 406.552 2.440 20 0 HEADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 ZINC000738068093 1075957668 /nfs/dbraw/zinc/95/76/68/1075957668.db2.gz XBQOSMWSCHEALA-UHFFFAOYSA-N 2 1 406.552 2.440 20 0 HEADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)C1CC1 ZINC000739089837 1076043020 /nfs/dbraw/zinc/04/30/20/1076043020.db2.gz PYWCOARBVHPMCQ-UHFFFAOYSA-N 2 1 415.582 2.004 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CNC(=O)OC)cc1 ZINC000743159889 1076978844 /nfs/dbraw/zinc/97/88/44/1076978844.db2.gz HLFPWZIFDNMWAD-LJQANCHMSA-N 2 1 405.543 2.422 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(CNC(=O)OC)cc1 ZINC000743159888 1076979087 /nfs/dbraw/zinc/97/90/87/1076979087.db2.gz HLFPWZIFDNMWAD-IBGZPJMESA-N 2 1 405.543 2.422 20 0 HEADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000743593170 1077071318 /nfs/dbraw/zinc/07/13/18/1077071318.db2.gz ATNGQUWANOPCTN-FSSWDIPSSA-N 2 1 400.567 2.403 20 0 HEADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000743593170 1077071324 /nfs/dbraw/zinc/07/13/24/1077071324.db2.gz ATNGQUWANOPCTN-FSSWDIPSSA-N 2 1 400.567 2.403 20 0 HEADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000743593170 1077071332 /nfs/dbraw/zinc/07/13/32/1077071332.db2.gz ATNGQUWANOPCTN-FSSWDIPSSA-N 2 1 400.567 2.403 20 0 HEADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000743932214 1077258013 /nfs/dbraw/zinc/25/80/13/1077258013.db2.gz UYQGTOMRDNCRGM-YLJYHZDGSA-N 2 1 415.582 2.002 20 0 HEADMP CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(C[NH+]1CCC(C[NH+]3CCCC3)CC1)C2 ZINC000744434508 1077393518 /nfs/dbraw/zinc/39/35/18/1077393518.db2.gz NFQUCFVRZMUCSU-UHFFFAOYSA-N 2 1 406.571 2.221 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761375 1079514843 /nfs/dbraw/zinc/51/48/43/1079514843.db2.gz LBJVMVXRSLIEQH-RTBURBONSA-N 2 1 404.555 2.347 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761375 1079514854 /nfs/dbraw/zinc/51/48/54/1079514854.db2.gz LBJVMVXRSLIEQH-RTBURBONSA-N 2 1 404.555 2.347 20 0 HEADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000785730726 1080204602 /nfs/dbraw/zinc/20/46/02/1080204602.db2.gz NYCOHLWPHSPDSU-WOJBJXKFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000785730726 1080204613 /nfs/dbraw/zinc/20/46/13/1080204613.db2.gz NYCOHLWPHSPDSU-WOJBJXKFSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785736941 1080209774 /nfs/dbraw/zinc/20/97/74/1080209774.db2.gz XYQHOAZQPTUTTQ-PMACEKPBSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785736941 1080209791 /nfs/dbraw/zinc/20/97/91/1080209791.db2.gz XYQHOAZQPTUTTQ-PMACEKPBSA-N 2 1 401.551 2.445 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000767938064 1080232149 /nfs/dbraw/zinc/23/21/49/1080232149.db2.gz UHGCBDWMWJNQHI-VQTJNVASSA-N 2 1 412.538 2.143 20 0 HEADMP CC[N@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170054318 1080367184 /nfs/dbraw/zinc/36/71/84/1080367184.db2.gz FMIVBZQRLRGNOJ-SJORKVTESA-N 2 1 414.616 2.171 20 0 HEADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170054318 1080367189 /nfs/dbraw/zinc/36/71/89/1080367189.db2.gz FMIVBZQRLRGNOJ-SJORKVTESA-N 2 1 414.616 2.171 20 0 HEADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000769241467 1081013382 /nfs/dbraw/zinc/01/33/82/1081013382.db2.gz SMOHXXCEJUDANH-GOSISDBHSA-N 2 1 408.587 2.310 20 0 HEADMP CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc(N(C)C)n2)c2c1CC[NH2+]C2 ZINC001164681173 719628297 /nfs/dbraw/zinc/62/82/97/719628297.db2.gz CCQWHDRKUUDZTG-UHFFFAOYSA-N 2 1 406.538 2.276 20 0 HEADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccccc3)nc(N(C)C)n2)c2c1CC[NH2+]C2 ZINC001164681173 719628303 /nfs/dbraw/zinc/62/83/03/719628303.db2.gz CCQWHDRKUUDZTG-UHFFFAOYSA-N 2 1 406.538 2.276 20 0 HEADMP COc1cc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(Cl)n1 ZINC001164685360 719651944 /nfs/dbraw/zinc/65/19/44/719651944.db2.gz ZNBWFSUXCYPVIP-UHFFFAOYSA-N 2 1 400.861 2.419 20 0 HEADMP COc1cc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(Cl)n1 ZINC001164685360 719651954 /nfs/dbraw/zinc/65/19/54/719651954.db2.gz ZNBWFSUXCYPVIP-UHFFFAOYSA-N 2 1 400.861 2.419 20 0 HEADMP Cc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc(N2CCCC2)[nH+]1 ZINC001164811357 720213547 /nfs/dbraw/zinc/21/35/47/720213547.db2.gz GLVPWYCIDJBWAP-UHFFFAOYSA-N 2 1 411.554 2.192 20 0 HEADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C1 ZINC001164731693 720512936 /nfs/dbraw/zinc/51/29/36/720512936.db2.gz XJRNSCRWFJYWCR-FQEVSTJZSA-N 2 1 417.561 2.429 20 0 HEADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C1 ZINC001164731693 720512944 /nfs/dbraw/zinc/51/29/44/720512944.db2.gz XJRNSCRWFJYWCR-FQEVSTJZSA-N 2 1 417.561 2.429 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839557 720565505 /nfs/dbraw/zinc/56/55/05/720565505.db2.gz QMRVPSRSVSAULE-FDFHNCONSA-N 2 1 423.609 2.408 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CCOCC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164842873 720579418 /nfs/dbraw/zinc/57/94/18/720579418.db2.gz WCTNLMMWCNSCLH-QHAWAJNXSA-N 2 1 410.566 2.493 20 0 HEADMP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164748250 720808312 /nfs/dbraw/zinc/80/83/12/720808312.db2.gz QCLMEDCZCQLHRB-NJDAHSKKSA-N 2 1 422.581 2.356 20 0 HEADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898273 721433168 /nfs/dbraw/zinc/43/31/68/721433168.db2.gz VNVRRFZHSMOBSX-VWNXMTODSA-N 2 1 413.610 2.443 20 0 HEADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164789435 721452852 /nfs/dbraw/zinc/45/28/52/721452852.db2.gz WEAHWYKUFMMILU-NRFANRHFSA-N 2 1 414.594 2.461 20 0 HEADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164899646 721517766 /nfs/dbraw/zinc/51/77/66/721517766.db2.gz LLDKKVALOYPQLT-GOEBONIOSA-N 2 1 403.889 2.257 20 0 HEADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c4CC[NH2+]C5)CC[N@H+]3C2)c1 ZINC001164899652 721517910 /nfs/dbraw/zinc/51/79/10/721517910.db2.gz LLDKKVALOYPQLT-ZBFHGGJFSA-N 2 1 403.889 2.257 20 0 HEADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164905820 721542800 /nfs/dbraw/zinc/54/28/00/721542800.db2.gz IONRWWDYSQXYDR-TZIWHRDSSA-N 2 1 411.525 2.314 20 0 HEADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164911029 721555363 /nfs/dbraw/zinc/55/53/63/721555363.db2.gz YCJXIHUWDQHFML-YLJYHZDGSA-N 2 1 413.497 2.088 20 0 HEADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cncc(N5CC[NH2+]CC5)n4)CC3)C2)cc1 ZINC001164938894 721927035 /nfs/dbraw/zinc/92/70/35/721927035.db2.gz ACIMMAXIWSSNRN-UHFFFAOYSA-N 2 1 422.577 2.066 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000745852595 1078670129 /nfs/dbraw/zinc/67/01/29/1078670129.db2.gz RYATXABTHJNTKZ-NHCUHLMSSA-N 2 1 415.582 2.158 20 0 HEADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000804279953 1079000541 /nfs/dbraw/zinc/00/05/41/1079000541.db2.gz VLHRMOUSYMENCR-QHCPKHFHSA-N 2 1 422.573 2.345 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)CO1 ZINC001169384531 1079255699 /nfs/dbraw/zinc/25/56/99/1079255699.db2.gz FWKMGXPFFBSUQH-HKBOAZHASA-N 2 1 417.550 2.248 20 0 HEADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@@H](Nc2ncccc2N2CC[NH2+]CC2)C1 ZINC001169514328 1079319106 /nfs/dbraw/zinc/31/91/06/1079319106.db2.gz QZUPXGRNRVYZEK-CTNGQTDRSA-N 2 1 409.534 2.362 20 0 HEADMP CCOC(=O)C1=C(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)NC(=O)N[C@H]1C ZINC000771451927 1079329453 /nfs/dbraw/zinc/32/94/53/1079329453.db2.gz HOGPWSVFMOIORD-INIZCTEOSA-N 2 1 415.538 2.138 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC001169605605 1079343104 /nfs/dbraw/zinc/34/31/04/1079343104.db2.gz LCQWWGWHGFZKCI-FCHUYYIVSA-N 2 1 400.567 2.395 20 0 HEADMP CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000771474658 1079351898 /nfs/dbraw/zinc/35/18/98/1079351898.db2.gz AWEUYRQMHVVFRA-UHFFFAOYSA-N 2 1 408.587 2.121 20 0 HEADMP CCOC(=O)N1CCC[C@@H](N(c2[nH+]ccn2C)[C@@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001169688608 1079370253 /nfs/dbraw/zinc/37/02/53/1079370253.db2.gz YSGMVNHKQSVCCO-MSOLQXFVSA-N 2 1 405.543 2.149 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001169695420 1079376342 /nfs/dbraw/zinc/37/63/42/1079376342.db2.gz XCRMQAMVSWJUOJ-IBGZPJMESA-N 2 1 417.554 2.056 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001169695420 1079376346 /nfs/dbraw/zinc/37/63/46/1079376346.db2.gz XCRMQAMVSWJUOJ-IBGZPJMESA-N 2 1 417.554 2.056 20 0 HEADMP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000766877245 1079472094 /nfs/dbraw/zinc/47/20/94/1079472094.db2.gz CWFNIYCZZAESHZ-RBUKOAKNSA-N 2 1 423.602 2.055 20 0 HEADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000766877245 1079472099 /nfs/dbraw/zinc/47/20/99/1079472099.db2.gz CWFNIYCZZAESHZ-RBUKOAKNSA-N 2 1 423.602 2.055 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000738515889 1075999382 /nfs/dbraw/zinc/99/93/82/1075999382.db2.gz CNFYSWKPFVRAQM-SFTDATJTSA-N 2 1 400.567 2.039 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000741410053 1076513109 /nfs/dbraw/zinc/51/31/09/1076513109.db2.gz WVXXJRUOZCUDLN-HSZRJFAPSA-N 2 1 420.517 2.012 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000741410053 1076513115 /nfs/dbraw/zinc/51/31/15/1076513115.db2.gz WVXXJRUOZCUDLN-HSZRJFAPSA-N 2 1 420.517 2.012 20 0 HEADMP COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788670 1076627839 /nfs/dbraw/zinc/62/78/39/1076627839.db2.gz YDTZWMPAZCPLQO-ACRNLXFHSA-N 2 1 409.596 2.410 20 0 HEADMP COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788670 1076627844 /nfs/dbraw/zinc/62/78/44/1076627844.db2.gz YDTZWMPAZCPLQO-ACRNLXFHSA-N 2 1 409.596 2.410 20 0 HEADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363261 1079830327 /nfs/dbraw/zinc/83/03/27/1079830327.db2.gz JARATYHBGGHWJW-MOPGFXCFSA-N 2 1 408.587 2.262 20 0 HEADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363261 1079830332 /nfs/dbraw/zinc/83/03/32/1079830332.db2.gz JARATYHBGGHWJW-MOPGFXCFSA-N 2 1 408.587 2.262 20 0 HEADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000767363261 1079830339 /nfs/dbraw/zinc/83/03/39/1079830339.db2.gz JARATYHBGGHWJW-MOPGFXCFSA-N 2 1 408.587 2.262 20 0 HEADMP CC(=O)c1ccc(N2CCN(C(=O)C[N@H+](C)CCCn3cc[nH+]c3C)CC2)c(F)c1 ZINC000767450012 1079876446 /nfs/dbraw/zinc/87/64/46/1079876446.db2.gz NJCLZZCDLMXOAY-UHFFFAOYSA-N 2 1 415.513 2.204 20 0 HEADMP CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+](C)CCCn3cc[nH+]c3C)CC2)c(F)c1 ZINC000767450012 1079876450 /nfs/dbraw/zinc/87/64/50/1079876450.db2.gz NJCLZZCDLMXOAY-UHFFFAOYSA-N 2 1 415.513 2.204 20 0 HEADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000769533797 1081113424 /nfs/dbraw/zinc/11/34/24/1081113424.db2.gz QAWJDMQHIQSRJJ-LJQANCHMSA-N 2 1 408.587 2.262 20 0 HEADMP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC001164628032 719093914 /nfs/dbraw/zinc/09/39/14/719093914.db2.gz LVDUZOGLLKTTQM-SIKLNZKXSA-N 2 1 420.561 2.017 20 0 HEADMP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4nc5c(c(N6CCOCC6)n4)C[NH2+]C5)[C@@H]3C2)cc1 ZINC001164628032 719093919 /nfs/dbraw/zinc/09/39/19/719093919.db2.gz LVDUZOGLLKTTQM-SIKLNZKXSA-N 2 1 420.561 2.017 20 0 HEADMP COc1nnc(Cl)cc1C(F)(F)n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679928 719651723 /nfs/dbraw/zinc/65/17/23/719651723.db2.gz AJGDYWBQGKJYPA-UHFFFAOYSA-N 2 1 400.861 2.419 20 0 HEADMP COc1nnc(Cl)cc1C(F)(F)n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679928 719651730 /nfs/dbraw/zinc/65/17/30/719651730.db2.gz AJGDYWBQGKJYPA-UHFFFAOYSA-N 2 1 400.861 2.419 20 0 HEADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164837275 720558942 /nfs/dbraw/zinc/55/89/42/720558942.db2.gz LOQLKHLRXQAULF-JFIYKMOQSA-N 2 1 423.521 2.319 20 0 HEADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c12 ZINC001164837275 720558950 /nfs/dbraw/zinc/55/89/50/720558950.db2.gz LOQLKHLRXQAULF-JFIYKMOQSA-N 2 1 423.521 2.319 20 0 HEADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742704 720807936 /nfs/dbraw/zinc/80/79/36/720807936.db2.gz DBVZOLRNIKPAAB-VAMGGRTRSA-N 2 1 410.570 2.212 20 0 HEADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742701 720808269 /nfs/dbraw/zinc/80/82/69/720808269.db2.gz DBVZOLRNIKPAAB-HSALFYBXSA-N 2 1 410.570 2.212 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164766723 721241761 /nfs/dbraw/zinc/24/17/61/721241761.db2.gz VIGCHDIDCLBXEV-RTWAWAEBSA-N 2 1 410.566 2.152 20 0 HEADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C[NH+]5CCCC5)cn4)C3)O2)CC1 ZINC001164898265 721432722 /nfs/dbraw/zinc/43/27/22/721432722.db2.gz VNVRRFZHSMOBSX-ISKFKSNPSA-N 2 1 413.610 2.443 20 0 HEADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4C[NH2+]CC5)CC[N@H+]3C2)c1 ZINC001164896826 721510489 /nfs/dbraw/zinc/51/04/89/721510489.db2.gz BNNLAWPZOVWMPT-GOEBONIOSA-N 2 1 403.889 2.257 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@H]2CCCO[C@@H]12 ZINC001164795699 721526676 /nfs/dbraw/zinc/52/66/76/721526676.db2.gz RSKITCGAZXEYKB-IPMKNSEASA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)[C@H]2CCCO[C@@H]12 ZINC001164795699 721526678 /nfs/dbraw/zinc/52/66/78/721526678.db2.gz RSKITCGAZXEYKB-IPMKNSEASA-N 2 1 414.941 2.039 20 0 HEADMP FC1(F)CCN(c2ncc3c(n2)CC[NH2+]C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906272 721691430 /nfs/dbraw/zinc/69/14/30/721691430.db2.gz MXHNTAOTZLZGTK-HXUWFJFHSA-N 2 1 400.477 2.255 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165022195 721804694 /nfs/dbraw/zinc/80/46/94/721804694.db2.gz IGSMUJFMTQJJQU-CEWLAPEOSA-N 2 1 407.566 2.018 20 0 HEADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164981803 722132292 /nfs/dbraw/zinc/13/22/92/722132292.db2.gz QMBKNQQKRCDILS-RBBKRZOGSA-N 2 1 408.550 2.066 20 0 HEADMP COC(=O)c1cccc(N2CC(=O)N(C[NH+]3CCC(CCC[NH+](C)C)CC3)C2=O)c1 ZINC000766382379 1078932291 /nfs/dbraw/zinc/93/22/91/1078932291.db2.gz QOOZYSDNMOORIX-UHFFFAOYSA-N 2 1 416.522 2.253 20 0 HEADMP CC[N@H+](CCC1CC[NH+](CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1)CC1CC1 ZINC000770684212 1078933155 /nfs/dbraw/zinc/93/31/55/1078933155.db2.gz FBIZEFPBDSGIDC-OAQYLSRUSA-N 2 1 415.582 2.129 20 0 HEADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)CC1)CC1CC1 ZINC000770684212 1078933170 /nfs/dbraw/zinc/93/31/70/1078933170.db2.gz FBIZEFPBDSGIDC-OAQYLSRUSA-N 2 1 415.582 2.129 20 0 HEADMP CN(C)C(=O)CN1CC[C@]2(C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4C)C[C@H]2c2ccccc2)C1=O ZINC001169131627 1079151376 /nfs/dbraw/zinc/15/13/76/1079151376.db2.gz WOHSEQHMLRKVNC-WUDUDLAESA-N 2 1 424.589 2.018 20 0 HEADMP CN(C)C(=O)CN1CC[C@]2(C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@H]2c2ccccc2)C1=O ZINC001169131627 1079151382 /nfs/dbraw/zinc/15/13/82/1079151382.db2.gz WOHSEQHMLRKVNC-WUDUDLAESA-N 2 1 424.589 2.018 20 0 HEADMP CN(C)C(=O)CN1CC[C@]2(C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C[C@H]2c2ccccc2)C1=O ZINC001169131627 1079151384 /nfs/dbraw/zinc/15/13/84/1079151384.db2.gz WOHSEQHMLRKVNC-WUDUDLAESA-N 2 1 424.589 2.018 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CO1 ZINC001169387711 1079258288 /nfs/dbraw/zinc/25/82/88/1079258288.db2.gz OJASOQMEFONFHB-GGPKGHCWSA-N 2 1 406.523 2.446 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CO1 ZINC001169392332 1079262640 /nfs/dbraw/zinc/26/26/40/1079262640.db2.gz PTLRBKXCZMFGET-RTWAWAEBSA-N 2 1 417.550 2.107 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CO1 ZINC001169397953 1079270408 /nfs/dbraw/zinc/27/04/08/1079270408.db2.gz OPWFMXQCFHYPMZ-LXHROKJGSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CO1 ZINC001169397953 1079270419 /nfs/dbraw/zinc/27/04/19/1079270419.db2.gz OPWFMXQCFHYPMZ-LXHROKJGSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CO1 ZINC001169397953 1079270429 /nfs/dbraw/zinc/27/04/29/1079270429.db2.gz OPWFMXQCFHYPMZ-LXHROKJGSA-N 2 1 416.566 2.169 20 0 HEADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CO1 ZINC001169397953 1079270439 /nfs/dbraw/zinc/27/04/39/1079270439.db2.gz OPWFMXQCFHYPMZ-LXHROKJGSA-N 2 1 416.566 2.169 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755526 1079484935 /nfs/dbraw/zinc/48/49/35/1079484935.db2.gz FOUARNOBRXPWEV-MJGOQNOKSA-N 2 1 404.555 2.252 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755526 1079484946 /nfs/dbraw/zinc/48/49/46/1079484946.db2.gz FOUARNOBRXPWEV-MJGOQNOKSA-N 2 1 404.555 2.252 20 0 HEADMP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000743920169 1077243097 /nfs/dbraw/zinc/24/30/97/1077243097.db2.gz UFLVCQRXSVMUNO-UHFFFAOYSA-N 2 1 415.582 2.148 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000744426064 1077388464 /nfs/dbraw/zinc/38/84/64/1077388464.db2.gz OGMIGWVZYXXNRA-UOIFGXKSSA-N 2 1 417.575 2.420 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000744426064 1077388468 /nfs/dbraw/zinc/38/84/68/1077388468.db2.gz OGMIGWVZYXXNRA-UOIFGXKSSA-N 2 1 417.575 2.420 20 0 HEADMP COC(=O)/C=C1\SCC(=O)N1CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000744426064 1077388474 /nfs/dbraw/zinc/38/84/74/1077388474.db2.gz OGMIGWVZYXXNRA-UOIFGXKSSA-N 2 1 417.575 2.420 20 0 HEADMP COC(=O)C1=C(C[N@H+](C)CCCn2cc[nH+]c2C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000767448990 1079875451 /nfs/dbraw/zinc/87/54/51/1079875451.db2.gz JZJRTUFNEIEEHW-FQEVSTJZSA-N 2 1 411.506 2.337 20 0 HEADMP COC(=O)C1=C(C[N@@H+](C)CCCn2cc[nH+]c2C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000767448990 1079875457 /nfs/dbraw/zinc/87/54/57/1079875457.db2.gz JZJRTUFNEIEEHW-FQEVSTJZSA-N 2 1 411.506 2.337 20 0 HEADMP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769331625 1081044959 /nfs/dbraw/zinc/04/49/59/1081044959.db2.gz USFKOKHHGVXEIK-LJQANCHMSA-N 2 1 418.586 2.450 20 0 HEADMP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769331625 1081044967 /nfs/dbraw/zinc/04/49/67/1081044967.db2.gz USFKOKHHGVXEIK-LJQANCHMSA-N 2 1 418.586 2.450 20 0 HEADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000769517548 1081105422 /nfs/dbraw/zinc/10/54/22/1081105422.db2.gz OWIWKMXHTYSVRT-HSALFYBXSA-N 2 1 410.603 2.161 20 0 HEADMP C(c1nc2sc3c(c2c(N2CCN4CC[NH2+]C[C@H]4C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164405060 718839445 /nfs/dbraw/zinc/83/94/45/718839445.db2.gz ORRPDFBARVRFPK-INIZCTEOSA-N 2 1 412.607 2.260 20 0 HEADMP c1ccc(C[N@H+]2CCc3nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)ccc3C2)cc1 ZINC001164422832 718913878 /nfs/dbraw/zinc/91/38/78/718913878.db2.gz BMSPDNAKTRMXCX-DEOSSOPVSA-N 2 1 408.546 2.225 20 0 HEADMP COC(=O)/C=C/c1cc2cc[nH]c2c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684776 719634972 /nfs/dbraw/zinc/63/49/72/719634972.db2.gz XPALXUULWXGAHQ-AATRIKPKSA-N 2 1 408.506 2.421 20 0 HEADMP COC(=O)/C=C/c1cc2cc[nH]c2c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164684776 719634977 /nfs/dbraw/zinc/63/49/77/719634977.db2.gz XPALXUULWXGAHQ-AATRIKPKSA-N 2 1 408.506 2.421 20 0 HEADMP COC(=O)[C@@H](C)c1c(Cl)ncnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680035 719652556 /nfs/dbraw/zinc/65/25/56/719652556.db2.gz CSBVAVUBFHUPCJ-LBPRGKRZSA-N 2 1 406.918 2.078 20 0 HEADMP COC(=O)[C@@H](C)c1c(Cl)ncnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680035 719652563 /nfs/dbraw/zinc/65/25/63/719652563.db2.gz CSBVAVUBFHUPCJ-LBPRGKRZSA-N 2 1 406.918 2.078 20 0 HEADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1 ZINC001164817362 720249632 /nfs/dbraw/zinc/24/96/32/720249632.db2.gz QPIVFPKYRUARQO-LJQANCHMSA-N 2 1 424.549 2.280 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@@H]21 ZINC001164834736 720508147 /nfs/dbraw/zinc/50/81/47/720508147.db2.gz HKDKMUGPOSUDTP-GJYPPUQNSA-N 2 1 415.973 2.350 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CCOCC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164842871 720581266 /nfs/dbraw/zinc/58/12/66/720581266.db2.gz WCTNLMMWCNSCLH-PCCBWWKXSA-N 2 1 410.566 2.493 20 0 HEADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164866787 721188658 /nfs/dbraw/zinc/18/86/58/721188658.db2.gz DBRKKFBHWHIMKI-FYYLOGMGSA-N 2 1 423.561 2.335 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)C[C@@H]3C2)cn1 ZINC001164766729 721241702 /nfs/dbraw/zinc/24/17/02/721241702.db2.gz VIGCHDIDCLBXEV-SFTDATJTSA-N 2 1 410.566 2.152 20 0 HEADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(n3)CC[NH2+]C4)C2)C1 ZINC001164775785 721336852 /nfs/dbraw/zinc/33/68/52/721336852.db2.gz AFCTWRWJZFLSPS-QHCPKHFHSA-N 2 1 411.550 2.451 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164803673 721535716 /nfs/dbraw/zinc/53/57/16/721535716.db2.gz IRUXBHUJYAKYCB-IPMKNSEASA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164803673 721535718 /nfs/dbraw/zinc/53/57/18/721535718.db2.gz IRUXBHUJYAKYCB-IPMKNSEASA-N 2 1 414.941 2.039 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745733758 1078620474 /nfs/dbraw/zinc/62/04/74/1078620474.db2.gz BOMSLHYEPFDDGL-UHFFFAOYSA-N 2 1 412.538 2.362 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000745817810 1078659941 /nfs/dbraw/zinc/65/99/41/1078659941.db2.gz XRBISZQUISUKHM-IBGZPJMESA-N 2 1 411.591 2.053 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745813994 1078927691 /nfs/dbraw/zinc/92/76/91/1078927691.db2.gz HUNOUOUCTSRXHS-ROUUACIJSA-N 2 1 411.591 2.053 20 0 HEADMP C[C@H]1C[C@@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CN1C(=O)OC(C)(C)C ZINC001168849875 1079061520 /nfs/dbraw/zinc/06/15/20/1079061520.db2.gz MDYDNRKLCYTSPF-PKOBYXMFSA-N 2 1 418.582 2.208 20 0 HEADMP CN(CC[N@@H+](C)C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)C1CC[NH+](C)CC1 ZINC001168894482 1079063939 /nfs/dbraw/zinc/06/39/39/1079063939.db2.gz QWMCOTBYFZAFNB-OFNKIYASSA-N 2 1 424.630 2.360 20 0 HEADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(OCC(F)(F)F)nn3)CC2)CC1 ZINC001169090546 1079138720 /nfs/dbraw/zinc/13/87/20/1079138720.db2.gz HUDWXWYZKVFPQH-UHFFFAOYSA-N 2 1 401.477 2.267 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)NC(C)(C)CCN3CC[NH+](C)CC3)cc2)CC1 ZINC000771097981 1079150855 /nfs/dbraw/zinc/15/08/55/1079150855.db2.gz UKBGYFVFJKKBAT-UHFFFAOYSA-N 2 1 416.614 2.366 20 0 HEADMP CC(C)(C)C(=O)Nc1ccc(C[N@H+]2CC[C@H](CO)C2)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169563188 1079332042 /nfs/dbraw/zinc/33/20/42/1079332042.db2.gz VLZWRUUYOSCNNS-DLBZAZTESA-N 2 1 403.571 2.434 20 0 HEADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4CCCN(C(C)=O)C4)CC3)C2)c1 ZINC001169607210 1079343682 /nfs/dbraw/zinc/34/36/82/1079343682.db2.gz BOGKOXHIPFYNHF-OAQYLSRUSA-N 2 1 401.551 2.373 20 0 HEADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CCCN(C(C)=O)C4)CC3)C2)c1 ZINC001169607210 1079343683 /nfs/dbraw/zinc/34/36/83/1079343683.db2.gz BOGKOXHIPFYNHF-OAQYLSRUSA-N 2 1 401.551 2.373 20 0 HEADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)CC1 ZINC001169695176 1079375794 /nfs/dbraw/zinc/37/57/94/1079375794.db2.gz UINMRMDXZLTQEG-GOSISDBHSA-N 2 1 407.559 2.178 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)CC1 ZINC001169695458 1079376060 /nfs/dbraw/zinc/37/60/60/1079376060.db2.gz YXTPATSLQFSPES-IBGZPJMESA-N 2 1 419.570 2.300 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)CC1 ZINC001169695458 1079376062 /nfs/dbraw/zinc/37/60/62/1079376062.db2.gz YXTPATSLQFSPES-IBGZPJMESA-N 2 1 419.570 2.300 20 0 HEADMP CCOC(=O)N1CCC[C@H]([NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)CC1 ZINC001169695458 1079376068 /nfs/dbraw/zinc/37/60/68/1079376068.db2.gz YXTPATSLQFSPES-IBGZPJMESA-N 2 1 419.570 2.300 20 0 HEADMP CCOC(=O)N1CCC[C@H]([NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)CC1 ZINC001169695458 1079376071 /nfs/dbraw/zinc/37/60/71/1079376071.db2.gz YXTPATSLQFSPES-IBGZPJMESA-N 2 1 419.570 2.300 20 0 HEADMP C[NH+](C)CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)CC1 ZINC000738075737 1075958543 /nfs/dbraw/zinc/95/85/43/1075958543.db2.gz IFDZXJNQQOHROE-LJQANCHMSA-N 2 1 423.355 2.447 20 0 HEADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC2)C1 ZINC000738215382 1075974978 /nfs/dbraw/zinc/97/49/78/1075974978.db2.gz UOORFEOQPPCODB-INIZCTEOSA-N 2 1 419.367 2.433 20 0 HEADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000739084028 1076041705 /nfs/dbraw/zinc/04/17/05/1076041705.db2.gz CNUPROLDQMOVAZ-GOSISDBHSA-N 2 1 417.598 2.250 20 0 HEADMP O=C(COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000741326778 1076477444 /nfs/dbraw/zinc/47/74/44/1076477444.db2.gz DLACISSMVAYVKF-GOSISDBHSA-N 2 1 417.525 2.324 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(NC(=O)COC)cc1 ZINC000743091242 1076951688 /nfs/dbraw/zinc/95/16/88/1076951688.db2.gz XNRIVZSHDZTWMP-IBGZPJMESA-N 2 1 405.543 2.151 20 0 HEADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000743932212 1077258157 /nfs/dbraw/zinc/25/81/57/1077258157.db2.gz UYQGTOMRDNCRGM-PXNSSMCTSA-N 2 1 415.582 2.002 20 0 HEADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000743979645 1077292507 /nfs/dbraw/zinc/29/25/07/1077292507.db2.gz HXFWKBIFGMMPAM-GOSISDBHSA-N 2 1 415.582 2.004 20 0 HEADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000766971200 1079566349 /nfs/dbraw/zinc/56/63/49/1079566349.db2.gz AOQKDFNRFCDVMN-UHFFFAOYSA-N 2 1 403.527 2.277 20 0 HEADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000766971200 1079566363 /nfs/dbraw/zinc/56/63/63/1079566363.db2.gz AOQKDFNRFCDVMN-UHFFFAOYSA-N 2 1 403.527 2.277 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2)CC1 ZINC000785735556 1080208392 /nfs/dbraw/zinc/20/83/92/1080208392.db2.gz WEKUFDSCJSFSSY-ROUUACIJSA-N 2 1 402.539 2.183 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000785735553 1080208808 /nfs/dbraw/zinc/20/88/08/1080208808.db2.gz WEKUFDSCJSFSSY-HDICACEKSA-N 2 1 402.539 2.183 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)COC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000785735553 1080208824 /nfs/dbraw/zinc/20/88/24/1080208824.db2.gz WEKUFDSCJSFSSY-HDICACEKSA-N 2 1 402.539 2.183 20 0 HEADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768215897 1080417721 /nfs/dbraw/zinc/41/77/21/1080417721.db2.gz DIZIDSVKMUJUOU-IFMALSPDSA-N 2 1 418.582 2.030 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000786297281 1080542045 /nfs/dbraw/zinc/54/20/45/1080542045.db2.gz OUOOLKVNZNXCIL-LJQANCHMSA-N 2 1 416.570 2.404 20 0 HEADMP Cn1nnc2c1CC[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001169994184 1080682725 /nfs/dbraw/zinc/68/27/25/1080682725.db2.gz AQWYTPLFDSBMKG-LJQANCHMSA-N 2 1 420.602 2.238 20 0 HEADMP Cn1nnc2c1CC[N@@H+](C1CC(C)(C)N(O)C(C)(C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001169994184 1080682736 /nfs/dbraw/zinc/68/27/36/1080682736.db2.gz AQWYTPLFDSBMKG-LJQANCHMSA-N 2 1 420.602 2.238 20 0 HEADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000769504587 1081099510 /nfs/dbraw/zinc/09/95/10/1081099510.db2.gz GXTCFVVSNBUQTF-FGTMMUONSA-N 2 1 414.472 2.471 20 0 HEADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1C ZINC001164407429 718839543 /nfs/dbraw/zinc/83/95/43/718839543.db2.gz WUHUTHZMNAYIKU-KRWDZBQOSA-N 2 1 400.596 2.388 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)c(C3C[NH2+]C3)n1)CC2 ZINC001164715725 720157372 /nfs/dbraw/zinc/15/73/72/720157372.db2.gz WHIZVPYABGMRKL-NRFANRHFSA-N 2 1 422.577 2.374 20 0 HEADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164714961 720157601 /nfs/dbraw/zinc/15/76/01/720157601.db2.gz RVUAWPQZXBGUDV-FQEVSTJZSA-N 2 1 408.550 2.066 20 0 HEADMP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc(N2CCCC2)[nH+]1 ZINC001164743462 720813355 /nfs/dbraw/zinc/81/33/55/720813355.db2.gz GCECZVJZXUYKSV-PWRODBHTSA-N 2 1 422.581 2.356 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]1 ZINC001164743462 720813356 /nfs/dbraw/zinc/81/33/56/720813356.db2.gz GCECZVJZXUYKSV-PWRODBHTSA-N 2 1 422.581 2.356 20 0 HEADMP Cc1nc(N2CCCC2)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164743462 720813360 /nfs/dbraw/zinc/81/33/60/720813360.db2.gz GCECZVJZXUYKSV-PWRODBHTSA-N 2 1 422.581 2.356 20 0 HEADMP CCc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(N2CCOCC2)[nH+]1 ZINC001164858967 720981131 /nfs/dbraw/zinc/98/11/31/720981131.db2.gz JOXCTDARMIZGKL-QGZVFWFLSA-N 2 1 413.570 2.494 20 0 HEADMP CCc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(N2CCOCC2)[nH+]1 ZINC001164858967 720981135 /nfs/dbraw/zinc/98/11/35/720981135.db2.gz JOXCTDARMIZGKL-QGZVFWFLSA-N 2 1 413.570 2.494 20 0 HEADMP C[NH+]1CCC(Oc2ccnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2)CC1 ZINC001164879546 721177555 /nfs/dbraw/zinc/17/75/55/721177555.db2.gz TYXWDZQTWBKKRV-NFBKMPQASA-N 2 1 423.561 2.429 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)cn1 ZINC001164762487 721179423 /nfs/dbraw/zinc/17/94/23/721179423.db2.gz CJSZNAXGWSNJOI-LEWJYISDSA-N 2 1 410.566 2.248 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@H]3C2)cn1 ZINC001164759737 721232886 /nfs/dbraw/zinc/23/28/86/721232886.db2.gz BEKWYRIAMVVWJU-VQTJNVASSA-N 2 1 410.566 2.246 20 0 HEADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164759737 721232893 /nfs/dbraw/zinc/23/28/93/721232893.db2.gz BEKWYRIAMVVWJU-VQTJNVASSA-N 3 1 410.566 2.246 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164759737 721232903 /nfs/dbraw/zinc/23/29/03/721232903.db2.gz BEKWYRIAMVVWJU-VQTJNVASSA-N 3 1 410.566 2.246 20 0 HEADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164911023 721555372 /nfs/dbraw/zinc/55/53/72/721555372.db2.gz YCJXIHUWDQHFML-FXAWDEMLSA-N 2 1 413.497 2.088 20 0 HEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978432 722123270 /nfs/dbraw/zinc/12/32/70/722123270.db2.gz OQBUVZGLQCETND-CTNGQTDRSA-N 2 1 422.533 2.200 20 0 HEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164978432 722123271 /nfs/dbraw/zinc/12/32/71/722123271.db2.gz OQBUVZGLQCETND-CTNGQTDRSA-N 2 1 422.533 2.200 20 0 HEADMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000745615478 1078568582 /nfs/dbraw/zinc/56/85/82/1078568582.db2.gz CVVKARRWYRQTDT-QZTJIDSGSA-N 2 1 411.591 2.053 20 0 HEADMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000745615478 1078568585 /nfs/dbraw/zinc/56/85/85/1078568585.db2.gz CVVKARRWYRQTDT-QZTJIDSGSA-N 2 1 411.591 2.053 20 0 HEADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000770026194 1078694094 /nfs/dbraw/zinc/69/40/94/1078694094.db2.gz IORFXDDGHHIASU-LJQANCHMSA-N 2 1 400.567 2.500 20 0 HEADMP C[C@H](CCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000770172052 1078768665 /nfs/dbraw/zinc/76/86/65/1078768665.db2.gz MSJGQIUKGMFUTI-TZRRMPRUSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CCN1CCC[NH+](C[C@@H]2CCCO2)CC1)[N@@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000770172052 1078768669 /nfs/dbraw/zinc/76/86/69/1078768669.db2.gz MSJGQIUKGMFUTI-TZRRMPRUSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CCN1CCC[NH+](C[C@@H]2CCCO2)CC1)[N@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000770172052 1078768673 /nfs/dbraw/zinc/76/86/73/1078768673.db2.gz MSJGQIUKGMFUTI-TZRRMPRUSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000770172052 1078768676 /nfs/dbraw/zinc/76/86/76/1078768676.db2.gz MSJGQIUKGMFUTI-TZRRMPRUSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000770172052 1078768678 /nfs/dbraw/zinc/76/86/78/1078768678.db2.gz MSJGQIUKGMFUTI-TZRRMPRUSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[NH+]1CCCN(C[C@@H]2CCCO2)CC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000770172052 1078768683 /nfs/dbraw/zinc/76/86/83/1078768683.db2.gz MSJGQIUKGMFUTI-TZRRMPRUSA-N 2 1 422.658 2.138 20 0 HEADMP C[C@H](CC[NH+]1CCCN(C[C@@H]2CCCO2)CC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000770172052 1078768689 /nfs/dbraw/zinc/76/86/89/1078768689.db2.gz MSJGQIUKGMFUTI-TZRRMPRUSA-N 2 1 422.658 2.138 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746099468 1078794240 /nfs/dbraw/zinc/79/42/40/1078794240.db2.gz UVEFDNKSJDIEJE-DEOSSOPVSA-N 2 1 408.546 2.404 20 0 HEADMP C[N@H+]1CCCN(c2ccc(NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)cc2)CC1 ZINC000746130855 1079085669 /nfs/dbraw/zinc/08/56/69/1079085669.db2.gz FQSDYWCETJZTIL-UHFFFAOYSA-N 2 1 422.577 2.374 20 0 HEADMP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169133791 1079152627 /nfs/dbraw/zinc/15/26/27/1079152627.db2.gz KUQYEHPBHDFXQP-REPLKXPHSA-N 2 1 409.534 2.295 20 0 HEADMP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169133791 1079152634 /nfs/dbraw/zinc/15/26/34/1079152634.db2.gz KUQYEHPBHDFXQP-REPLKXPHSA-N 2 1 409.534 2.295 20 0 HEADMP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169133791 1079152637 /nfs/dbraw/zinc/15/26/37/1079152637.db2.gz KUQYEHPBHDFXQP-REPLKXPHSA-N 2 1 409.534 2.295 20 0 HEADMP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)CC2 ZINC001169133790 1079152769 /nfs/dbraw/zinc/15/27/69/1079152769.db2.gz KUQYEHPBHDFXQP-BWTSREIZSA-N 2 1 409.534 2.295 20 0 HEADMP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC001169133790 1079152772 /nfs/dbraw/zinc/15/27/72/1079152772.db2.gz KUQYEHPBHDFXQP-BWTSREIZSA-N 2 1 409.534 2.295 20 0 HEADMP COC(=O)c1cc2c(nc1-c1cnn(C)c1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169133790 1079152778 /nfs/dbraw/zinc/15/27/78/1079152778.db2.gz KUQYEHPBHDFXQP-BWTSREIZSA-N 2 1 409.534 2.295 20 0 HEADMP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170021683 1079154665 /nfs/dbraw/zinc/15/46/65/1079154665.db2.gz IVFMLGNJDRUPJW-WMZOPIPTSA-N 2 1 424.611 2.114 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCc1ccccc1)C2 ZINC001169107414 1079157234 /nfs/dbraw/zinc/15/72/34/1079157234.db2.gz GEFWOUVVUVMMQF-NUNAXRQHSA-N 2 1 406.567 2.468 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CO1 ZINC001169392357 1079262332 /nfs/dbraw/zinc/26/23/32/1079262332.db2.gz PWFMWCKYOVYGHZ-RTWAWAEBSA-N 2 1 402.535 2.464 20 0 HEADMP CCOC(=O)N1CC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000771394557 1079320373 /nfs/dbraw/zinc/32/03/73/1079320373.db2.gz XBTGYFRMCIPBGD-IBGZPJMESA-N 2 1 423.602 2.055 20 0 HEADMP CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001169536325 1079325152 /nfs/dbraw/zinc/32/51/52/1079325152.db2.gz DMRVPWOVEBSOKO-QPTUXGOLSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001169536325 1079325159 /nfs/dbraw/zinc/32/51/59/1079325159.db2.gz DMRVPWOVEBSOKO-QPTUXGOLSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)C1 ZINC001169536325 1079325167 /nfs/dbraw/zinc/32/51/67/1079325167.db2.gz DMRVPWOVEBSOKO-QPTUXGOLSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2ccccn2)C1 ZINC001169536325 1079325176 /nfs/dbraw/zinc/32/51/76/1079325176.db2.gz DMRVPWOVEBSOKO-QPTUXGOLSA-N 2 1 412.578 2.253 20 0 HEADMP [NH3+]C1CCN(c2nccc(N[C@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)n2)CC1 ZINC001169516896 1079328392 /nfs/dbraw/zinc/32/83/92/1079328392.db2.gz WCWKLHKZRWVHFE-NQIIRXRSSA-N 2 1 424.549 2.275 20 0 HEADMP CC(=O)N1CCC[C@@H]([NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)C1 ZINC001169613017 1079352452 /nfs/dbraw/zinc/35/24/52/1079352452.db2.gz XKAUPAQJHFQMGP-HXUWFJFHSA-N 2 1 412.578 2.248 20 0 HEADMP CCOC(=O)N1CCC[C@H](N(c2[nH+]ccn2C)[C@@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC001169688610 1079370141 /nfs/dbraw/zinc/37/01/41/1079370141.db2.gz YSGMVNHKQSVCCO-ROUUACIJSA-N 2 1 405.543 2.149 20 0 HEADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000766877247 1079472270 /nfs/dbraw/zinc/47/22/70/1079472270.db2.gz CWFNIYCZZAESHZ-RTBURBONSA-N 2 1 423.602 2.055 20 0 HEADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000766877247 1079472276 /nfs/dbraw/zinc/47/22/76/1079472276.db2.gz CWFNIYCZZAESHZ-RTBURBONSA-N 2 1 423.602 2.055 20 0 HEADMP C[NH+](C)CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)CC1 ZINC000738075736 1075958445 /nfs/dbraw/zinc/95/84/45/1075958445.db2.gz IFDZXJNQQOHROE-IBGZPJMESA-N 2 1 423.355 2.447 20 0 HEADMP Cc1ccc(N2CCC(C(=O)OCC(=O)NC3CC[NH+](C(C)C)CC3)CC2)[nH+]c1 ZINC000744847234 1077632050 /nfs/dbraw/zinc/63/20/50/1077632050.db2.gz ACYZXIWSEQYEAP-UHFFFAOYSA-N 2 1 402.539 2.139 20 0 HEADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000745180884 1077762711 /nfs/dbraw/zinc/76/27/11/1077762711.db2.gz RILLJHXIQVXIRT-GOSISDBHSA-N 2 1 406.596 2.416 20 0 HEADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000745180884 1077762718 /nfs/dbraw/zinc/76/27/18/1077762718.db2.gz RILLJHXIQVXIRT-GOSISDBHSA-N 2 1 406.596 2.416 20 0 HEADMP C[C@H]1CC[N@H+](CCOc2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000745180885 1077763003 /nfs/dbraw/zinc/76/30/03/1077763003.db2.gz RILLJHXIQVXIRT-SFHVURJKSA-N 2 1 406.596 2.416 20 0 HEADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc2)C1 ZINC000745180885 1077763010 /nfs/dbraw/zinc/76/30/10/1077763010.db2.gz RILLJHXIQVXIRT-SFHVURJKSA-N 2 1 406.596 2.416 20 0 HEADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)C2=O ZINC000767503056 1079894283 /nfs/dbraw/zinc/89/42/83/1079894283.db2.gz WRRNGYIYCRETTD-OAHLLOKOSA-N 2 1 410.440 2.468 20 0 HEADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)C2=O ZINC000767503056 1079894285 /nfs/dbraw/zinc/89/42/85/1079894285.db2.gz WRRNGYIYCRETTD-OAHLLOKOSA-N 2 1 410.440 2.468 20 0 HEADMP CSC[C@H]1CCC[N@@H+]1CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000767769604 1080078189 /nfs/dbraw/zinc/07/81/89/1080078189.db2.gz BJGUCNSSVNAUBN-NQIIRXRSSA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@H]1CCC[N@H+]1CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000767769604 1080078196 /nfs/dbraw/zinc/07/81/96/1080078196.db2.gz BJGUCNSSVNAUBN-NQIIRXRSSA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@H]1CCC[NH+]1CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000767769604 1080078207 /nfs/dbraw/zinc/07/82/07/1080078207.db2.gz BJGUCNSSVNAUBN-NQIIRXRSSA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@H]1CCC[NH+]1CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000767769604 1080078214 /nfs/dbraw/zinc/07/82/14/1080078214.db2.gz BJGUCNSSVNAUBN-NQIIRXRSSA-N 2 1 402.564 2.358 20 0 HEADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)CC1 ZINC000744434769 1081067917 /nfs/dbraw/zinc/06/79/17/1081067917.db2.gz QDANZVFEQOSNCS-UHFFFAOYSA-N 2 1 408.587 2.466 20 0 HEADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164710377 720127950 /nfs/dbraw/zinc/12/79/50/720127950.db2.gz ABVZIHVQXXHEPE-HXUWFJFHSA-N 2 1 408.550 2.025 20 0 HEADMP [NH3+]Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncn1 ZINC001164757165 720882955 /nfs/dbraw/zinc/88/29/55/720882955.db2.gz TXUTWICDDSGCGI-OFNKIYASSA-N 2 1 408.550 2.085 20 0 HEADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ncc4c(n2)C[NH2+]C4)C3)c1 ZINC001164757423 720889210 /nfs/dbraw/zinc/88/92/10/720889210.db2.gz UOTCAJCRKLESHT-QPPBQGQZSA-N 2 1 420.561 2.230 20 0 HEADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164866788 721188378 /nfs/dbraw/zinc/18/83/78/721188378.db2.gz DBRKKFBHWHIMKI-GGAORHGYSA-N 2 1 423.561 2.335 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)ccn4)C[C@@H]3C2)cn1 ZINC001164759736 721233707 /nfs/dbraw/zinc/23/37/07/721233707.db2.gz BEKWYRIAMVVWJU-UXHICEINSA-N 2 1 410.566 2.246 20 0 HEADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164759736 721233710 /nfs/dbraw/zinc/23/37/10/721233710.db2.gz BEKWYRIAMVVWJU-UXHICEINSA-N 3 1 410.566 2.246 20 0 HEADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164759736 721233715 /nfs/dbraw/zinc/23/37/15/721233715.db2.gz BEKWYRIAMVVWJU-UXHICEINSA-N 3 1 410.566 2.246 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164803674 721535522 /nfs/dbraw/zinc/53/55/22/721535522.db2.gz IRUXBHUJYAKYCB-OTWHNJEPSA-N 2 1 414.941 2.039 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164803674 721535525 /nfs/dbraw/zinc/53/55/25/721535525.db2.gz IRUXBHUJYAKYCB-OTWHNJEPSA-N 2 1 414.941 2.039 20 0 HEADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164905818 721542864 /nfs/dbraw/zinc/54/28/64/721542864.db2.gz IONRWWDYSQXYDR-FPOVZHCZSA-N 2 1 411.525 2.314 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164910293 721548251 /nfs/dbraw/zinc/54/82/51/721548251.db2.gz UCPSXWXQDSHIOC-TZIWHRDSSA-N 2 1 411.525 2.490 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164910293 721548254 /nfs/dbraw/zinc/54/82/54/721548254.db2.gz UCPSXWXQDSHIOC-TZIWHRDSSA-N 3 1 411.525 2.490 20 0 HEADMP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164910293 721548258 /nfs/dbraw/zinc/54/82/58/721548258.db2.gz UCPSXWXQDSHIOC-TZIWHRDSSA-N 3 1 411.525 2.490 20 0 HEADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164911027 721555328 /nfs/dbraw/zinc/55/53/28/721555328.db2.gz YCJXIHUWDQHFML-XLIONFOSSA-N 2 1 413.497 2.088 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800910 721568233 /nfs/dbraw/zinc/56/82/33/721568233.db2.gz FUVQZLVNXLVKLE-VSKRKVRLSA-N 2 1 408.550 2.207 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164800910 721568235 /nfs/dbraw/zinc/56/82/35/721568235.db2.gz FUVQZLVNXLVKLE-VSKRKVRLSA-N 2 1 408.550 2.207 20 0 HEADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164800900 721568438 /nfs/dbraw/zinc/56/84/38/721568438.db2.gz FUVQZLVNXLVKLE-BDTNDASRSA-N 2 1 408.550 2.207 20 0 HEADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C3CC[NH2+]CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164800900 721568442 /nfs/dbraw/zinc/56/84/42/721568442.db2.gz FUVQZLVNXLVKLE-BDTNDASRSA-N 2 1 408.550 2.207 20 0 HEADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)C[C@@H]21 ZINC001165026176 721814514 /nfs/dbraw/zinc/81/45/14/721814514.db2.gz PJFNXVUKKRWDIS-SESVDKBCSA-N 2 1 407.566 2.018 20 0 HEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978438 722123291 /nfs/dbraw/zinc/12/32/91/722123291.db2.gz OQBUVZGLQCETND-PZJWPPBQSA-N 2 1 422.533 2.200 20 0 HEADMP COCCn1ccc2c1nc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978438 722123295 /nfs/dbraw/zinc/12/32/95/722123295.db2.gz OQBUVZGLQCETND-PZJWPPBQSA-N 2 1 422.533 2.200 20 0 HEADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164981797 722132554 /nfs/dbraw/zinc/13/25/54/722132554.db2.gz QMBKNQQKRCDILS-IFMALSPDSA-N 2 1 408.550 2.066 20 0 HEADMP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745989156 1078721261 /nfs/dbraw/zinc/72/12/61/1078721261.db2.gz QOKNJIJCWPFHRS-OAHLLOKOSA-N 2 1 401.511 2.172 20 0 HEADMP O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000746502865 1078847829 /nfs/dbraw/zinc/84/78/29/1078847829.db2.gz LTEPRPMAFBIBPY-CVDCTZTESA-N 2 1 412.534 2.031 20 0 HEADMP O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000746502865 1078847830 /nfs/dbraw/zinc/84/78/30/1078847830.db2.gz LTEPRPMAFBIBPY-CVDCTZTESA-N 2 1 412.534 2.031 20 0 HEADMP O=C1N[C@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000746502865 1078847832 /nfs/dbraw/zinc/84/78/32/1078847832.db2.gz LTEPRPMAFBIBPY-CVDCTZTESA-N 2 1 412.534 2.031 20 0 HEADMP O=C1N[C@]2(CCC[NH+](Cc3ccccc3)C2)C(=O)N1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000746502865 1078847836 /nfs/dbraw/zinc/84/78/36/1078847836.db2.gz LTEPRPMAFBIBPY-CVDCTZTESA-N 2 1 412.534 2.031 20 0 HEADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=S)NCCC[NH+]1CCOCC1 ZINC000770578416 1078895672 /nfs/dbraw/zinc/89/56/72/1078895672.db2.gz KRJFTFYMUZPTHB-UHFFFAOYSA-N 2 1 405.612 2.217 20 0 HEADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CO[C@]3(C1)COCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169093568 1079127066 /nfs/dbraw/zinc/12/70/66/1079127066.db2.gz IOBBDIMLKHETQT-QUXXCFOZSA-N 2 1 409.571 2.244 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@]3(CCC[N@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH+]5C)C3)C2)n1 ZINC001169128643 1079147791 /nfs/dbraw/zinc/14/77/91/1079147791.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 2 1 414.598 2.087 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@]3(CCC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@H+]5C)C3)C2)n1 ZINC001169128643 1079147796 /nfs/dbraw/zinc/14/77/96/1079147796.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 2 1 414.598 2.087 20 0 HEADMP CN(C)c1nccc(N2CCOC[C@]3(CCC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)C3)C2)n1 ZINC001169128643 1079147798 /nfs/dbraw/zinc/14/77/98/1079147798.db2.gz GCKBADXYOFPCED-VAWZGJIGSA-N 2 1 414.598 2.087 20 0 HEADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)C2)CC1 ZINC000771325920 1079287888 /nfs/dbraw/zinc/28/78/88/1079287888.db2.gz XHWMUZCDFOYYJZ-HXUWFJFHSA-N 2 1 418.557 2.073 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000771359974 1079303477 /nfs/dbraw/zinc/30/34/77/1079303477.db2.gz VFFLIANFWRXZBY-QKDPSFTKSA-N 2 1 417.598 2.269 20 0 HEADMP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)nn2)CC[NH2+]1 ZINC001169511939 1079318455 /nfs/dbraw/zinc/31/84/55/1079318455.db2.gz KQQOEWCNMCGIGN-YFVAEKQCSA-N 2 1 424.549 2.146 20 0 HEADMP O=C(OCc1ccccc1)[C@H]1CCC[NH2+][C@@H](Nc2ncccc2N2CC[NH2+]CC2)C1 ZINC001169514329 1079319221 /nfs/dbraw/zinc/31/92/21/1079319221.db2.gz QZUPXGRNRVYZEK-FPOVZHCZSA-N 2 1 409.534 2.362 20 0 HEADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@@H](Nc2cnc(O[C@@H]3CC[NH2+]C3)nc2)C1 ZINC001169522001 1079322378 /nfs/dbraw/zinc/32/23/78/1079322378.db2.gz UIXNGUPRJJKNPW-RLLQIKCJSA-N 2 1 411.506 2.088 20 0 HEADMP CC(=O)N1CC[C@H]([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001169548163 1079328727 /nfs/dbraw/zinc/32/87/27/1079328727.db2.gz DMRVPWOVEBSOKO-YFNKSVMNSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001169548163 1079328730 /nfs/dbraw/zinc/32/87/30/1079328730.db2.gz DMRVPWOVEBSOKO-YFNKSVMNSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001169548163 1079328733 /nfs/dbraw/zinc/32/87/33/1079328733.db2.gz DMRVPWOVEBSOKO-YFNKSVMNSA-N 2 1 412.578 2.253 20 0 HEADMP CC(=O)N1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001169548163 1079328736 /nfs/dbraw/zinc/32/87/36/1079328736.db2.gz DMRVPWOVEBSOKO-YFNKSVMNSA-N 2 1 412.578 2.253 20 0 HEADMP CC(C)(C)C(=O)Nc1ccc(C[N@H+]2CC[C@@H](CO)C2)nc1NCC[C@H]1CCC[NH2+]1 ZINC001169563189 1079332103 /nfs/dbraw/zinc/33/21/03/1079332103.db2.gz VLZWRUUYOSCNNS-IAGOWNOFSA-N 2 1 403.571 2.434 20 0 HEADMP NC(=O)c1c(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000739927003 1076094332 /nfs/dbraw/zinc/09/43/32/1076094332.db2.gz YZEZADCFVFUOLL-HNNXBMFYSA-N 2 1 404.580 2.472 20 0 HEADMP NC(=O)c1c(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)sc2c1CCCC2 ZINC000739927003 1076094339 /nfs/dbraw/zinc/09/43/39/1076094339.db2.gz YZEZADCFVFUOLL-HNNXBMFYSA-N 2 1 404.580 2.472 20 0 HEADMP COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788671 1076627919 /nfs/dbraw/zinc/62/79/19/1076627919.db2.gz YDTZWMPAZCPLQO-JZQBQCRLSA-N 2 1 409.596 2.410 20 0 HEADMP COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000741788671 1076627921 /nfs/dbraw/zinc/62/79/21/1076627921.db2.gz YDTZWMPAZCPLQO-JZQBQCRLSA-N 2 1 409.596 2.410 20 0 HEADMP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000743078185 1076945466 /nfs/dbraw/zinc/94/54/66/1076945466.db2.gz IMVLFXVUQUBMBO-OAQYLSRUSA-N 2 1 403.571 2.187 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000743188375 1077002442 /nfs/dbraw/zinc/00/24/42/1077002442.db2.gz NUNMZRWQVBCHNC-HXUWFJFHSA-N 2 1 413.570 2.401 20 0 HEADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000743477642 1077055176 /nfs/dbraw/zinc/05/51/76/1077055176.db2.gz MNCOYYVVGZPKLJ-KRWDZBQOSA-N 2 1 415.582 2.002 20 0 HEADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000743593171 1077073816 /nfs/dbraw/zinc/07/38/16/1077073816.db2.gz ATNGQUWANOPCTN-VSKRKVRLSA-N 2 1 400.567 2.403 20 0 HEADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000743593171 1077073822 /nfs/dbraw/zinc/07/38/22/1077073822.db2.gz ATNGQUWANOPCTN-VSKRKVRLSA-N 2 1 400.567 2.403 20 0 HEADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000743593171 1077073829 /nfs/dbraw/zinc/07/38/29/1077073829.db2.gz ATNGQUWANOPCTN-VSKRKVRLSA-N 2 1 400.567 2.403 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761369 1079514749 /nfs/dbraw/zinc/51/47/49/1079514749.db2.gz LBJVMVXRSLIEQH-MOPGFXCFSA-N 2 1 404.555 2.347 20 0 HEADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761369 1079514758 /nfs/dbraw/zinc/51/47/58/1079514758.db2.gz LBJVMVXRSLIEQH-MOPGFXCFSA-N 2 1 404.555 2.347 20 0 HEADMP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@@H]21 ZINC000766990494 1079551026 /nfs/dbraw/zinc/55/10/26/1079551026.db2.gz SMKSPLVCIIDAMI-HOCLYGCPSA-N 2 1 404.580 2.471 20 0 HEADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@@H]21 ZINC000766990494 1079551038 /nfs/dbraw/zinc/55/10/38/1079551038.db2.gz SMKSPLVCIIDAMI-HOCLYGCPSA-N 2 1 404.580 2.471 20 0 HEADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@@H]21 ZINC000766990494 1079551048 /nfs/dbraw/zinc/55/10/48/1079551048.db2.gz SMKSPLVCIIDAMI-HOCLYGCPSA-N 2 1 404.580 2.471 20 0 HEADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC[C@@H]21 ZINC000766990494 1079551056 /nfs/dbraw/zinc/55/10/56/1079551056.db2.gz SMKSPLVCIIDAMI-HOCLYGCPSA-N 2 1 404.580 2.471 20 0 HEADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000767938062 1080232338 /nfs/dbraw/zinc/23/23/38/1080232338.db2.gz UHGCBDWMWJNQHI-PMACEKPBSA-N 2 1 412.538 2.143 20 0 HEADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000786297279 1080542163 /nfs/dbraw/zinc/54/21/63/1080542163.db2.gz OUOOLKVNZNXCIL-IBGZPJMESA-N 2 1 416.570 2.404 20 0 HEADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000768765400 1080753170 /nfs/dbraw/zinc/75/31/70/1080753170.db2.gz DMRFHEQMRNRXJY-XXBNENTESA-N 2 1 408.546 2.260 20 0 HEADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000768765400 1080753177 /nfs/dbraw/zinc/75/31/77/1080753177.db2.gz DMRFHEQMRNRXJY-XXBNENTESA-N 2 1 408.546 2.260 20 0 HEADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4C[NH2+]C[C@]4(CO)C3)c2c1C ZINC001164408678 718853165 /nfs/dbraw/zinc/85/31/65/718853165.db2.gz SEWHEJQBECYUPE-IIBYNOLFSA-N 2 1 401.580 2.312 20 0 HEADMP OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164403813 718853679 /nfs/dbraw/zinc/85/36/79/718853679.db2.gz IWNMUBHXPGWEFV-QRQCRPRQSA-N 2 1 413.591 2.184 20 0 HEADMP CCc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc(N2CCOCC2)[nH+]1 ZINC001164811756 720141479 /nfs/dbraw/zinc/14/14/79/720141479.db2.gz NECARCXXWDAMPN-CVDCTZTESA-N 2 1 415.582 2.060 20 0 HEADMP CCc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)nc(N2CCOCC2)[nH+]1 ZINC001164811756 720141483 /nfs/dbraw/zinc/14/14/83/720141483.db2.gz NECARCXXWDAMPN-CVDCTZTESA-N 2 1 415.582 2.060 20 0 HEADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc[nH+]c(N3CCCCC3)n1)CCC2 ZINC001164813980 720235013 /nfs/dbraw/zinc/23/50/13/720235013.db2.gz SPQALNGYZFBYTH-UHFFFAOYSA-N 2 1 411.554 2.274 20 0 HEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc[nH+]c(N3CCCCC3)n1)CCC2 ZINC001164813980 720235029 /nfs/dbraw/zinc/23/50/29/720235029.db2.gz SPQALNGYZFBYTH-UHFFFAOYSA-N 2 1 411.554 2.274 20 0 HEADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001164821778 720336499 /nfs/dbraw/zinc/33/64/99/720336499.db2.gz BWLHMKDGMPIHTQ-VQTJNVASSA-N 2 1 412.582 2.378 20 0 HEADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164844523 720694901 /nfs/dbraw/zinc/69/49/01/720694901.db2.gz SRCRHCOXIODOGD-NRFANRHFSA-N 2 1 422.577 2.146 20 0 HEADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@H+]3C2)c1 ZINC001164866790 721189273 /nfs/dbraw/zinc/18/92/73/721189273.db2.gz DBRKKFBHWHIMKI-JTHBVZDNSA-N 2 1 423.561 2.335 20 0 HEADMP FC1(F)CCN(c2cc3c(nn2)CC[NH2+]C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906631 721713576 /nfs/dbraw/zinc/71/35/76/721713576.db2.gz NJIJVFJSOIYSTG-HXUWFJFHSA-N 2 1 400.477 2.255 20 0 HEADMP C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000745615479 1078568663 /nfs/dbraw/zinc/56/86/63/1078568663.db2.gz CVVKARRWYRQTDT-ROUUACIJSA-N 2 1 411.591 2.053 20 0 HEADMP C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000745615479 1078568666 /nfs/dbraw/zinc/56/86/66/1078568666.db2.gz CVVKARRWYRQTDT-ROUUACIJSA-N 2 1 411.591 2.053 20 0 HEADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc2)CC1 ZINC000746130917 1078800479 /nfs/dbraw/zinc/80/04/79/1078800479.db2.gz ITKRXPHROREFJT-XMMPIXPASA-N 2 1 408.546 2.404 20 0 HEADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746130917 1078800485 /nfs/dbraw/zinc/80/04/85/1078800485.db2.gz ITKRXPHROREFJT-XMMPIXPASA-N 2 1 408.546 2.404 20 0 HEADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000746130917 1078800487 /nfs/dbraw/zinc/80/04/87/1078800487.db2.gz ITKRXPHROREFJT-XMMPIXPASA-N 2 1 408.546 2.404 20 0 HEADMP Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)C2=O)cn1 ZINC000746377953 1078883817 /nfs/dbraw/zinc/88/38/17/1078883817.db2.gz SOPBNPYZXHFFJA-JOCHJYFZSA-N 2 1 423.561 2.139 20 0 HEADMP Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)C2=O)cn1 ZINC000746377953 1078883822 /nfs/dbraw/zinc/88/38/22/1078883822.db2.gz SOPBNPYZXHFFJA-JOCHJYFZSA-N 2 1 423.561 2.139 20 0 HEADMP CC[N@H+](CCC1CC[NH+](CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CC1)CC1CC1 ZINC000770684207 1078933341 /nfs/dbraw/zinc/93/33/41/1078933341.db2.gz FBIZEFPBDSGIDC-NRFANRHFSA-N 2 1 415.582 2.129 20 0 HEADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)CC1)CC1CC1 ZINC000770684207 1078933353 /nfs/dbraw/zinc/93/33/53/1078933353.db2.gz FBIZEFPBDSGIDC-NRFANRHFSA-N 2 1 415.582 2.129 20 0 HEADMP COC(=O)C1(C)CCC([N@H+]2CCCn3nnc(COCC[NH+]4CCCC4)c3C2)CC1 ZINC001168782844 1078968955 /nfs/dbraw/zinc/96/89/55/1078968955.db2.gz WQDQQIAOIRTRET-UHFFFAOYSA-N 2 1 419.570 2.218 20 0 HEADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(-n3cc4c(n3)CC[C@H]([NH3+])C4)c2c1C ZINC001168813045 1079044933 /nfs/dbraw/zinc/04/49/33/1079044933.db2.gz USXVBOLRXUIMAW-ZDUSSCGKSA-N 2 1 414.535 2.240 20 0 HEADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865466 1079057203 /nfs/dbraw/zinc/05/72/03/1079057203.db2.gz MRPNEPZLHSDNPU-FQBWVUSXSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865466 1079057212 /nfs/dbraw/zinc/05/72/12/1079057212.db2.gz MRPNEPZLHSDNPU-FQBWVUSXSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865466 1079057218 /nfs/dbraw/zinc/05/72/18/1079057218.db2.gz MRPNEPZLHSDNPU-FQBWVUSXSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865466 1079057222 /nfs/dbraw/zinc/05/72/22/1079057222.db2.gz MRPNEPZLHSDNPU-FQBWVUSXSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865465 1079057300 /nfs/dbraw/zinc/05/73/00/1079057300.db2.gz MRPNEPZLHSDNPU-APAFKAMOSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865465 1079057307 /nfs/dbraw/zinc/05/73/07/1079057307.db2.gz MRPNEPZLHSDNPU-APAFKAMOSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865465 1079057310 /nfs/dbraw/zinc/05/73/10/1079057310.db2.gz MRPNEPZLHSDNPU-APAFKAMOSA-N 2 1 404.559 2.071 20 0 HEADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CN1C(=O)OC(C)(C)C ZINC001168865465 1079057316 /nfs/dbraw/zinc/05/73/16/1079057316.db2.gz MRPNEPZLHSDNPU-APAFKAMOSA-N 2 1 404.559 2.071 20 0 HEADMP CN(CC[N@@H+](C)CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001168893851 1079063443 /nfs/dbraw/zinc/06/34/43/1079063443.db2.gz MQIZILWTTMQOHV-DETIRCLXSA-N 2 1 424.630 2.237 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CO1 ZINC001169399293 1079272803 /nfs/dbraw/zinc/27/28/03/1079272803.db2.gz VYIWVNXUDVRYNP-MJCUULBUSA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CO1 ZINC001169399293 1079272811 /nfs/dbraw/zinc/27/28/11/1079272811.db2.gz VYIWVNXUDVRYNP-MJCUULBUSA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CO1 ZINC001169399293 1079272822 /nfs/dbraw/zinc/27/28/22/1079272822.db2.gz VYIWVNXUDVRYNP-MJCUULBUSA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CO1 ZINC001169399293 1079272830 /nfs/dbraw/zinc/27/28/30/1079272830.db2.gz VYIWVNXUDVRYNP-MJCUULBUSA-N 2 1 404.555 2.167 20 0 HEADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CO1 ZINC001169396738 1079268668 /nfs/dbraw/zinc/26/86/68/1079268668.db2.gz LYKNZJMPEBWBQC-ZSYZGHEHSA-N 2 1 424.582 2.077 20 0 HEADMP [NH3+]C1CCN(c2nccc(N[C@@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)n2)CC1 ZINC001169516898 1079328319 /nfs/dbraw/zinc/32/83/19/1079328319.db2.gz WCWKLHKZRWVHFE-WIYYLYMNSA-N 2 1 424.549 2.275 20 0 HEADMP CC(=O)N1CCC[C@H]([NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)C1 ZINC001169613016 1079352587 /nfs/dbraw/zinc/35/25/87/1079352587.db2.gz XKAUPAQJHFQMGP-FQEVSTJZSA-N 2 1 412.578 2.248 20 0 HEADMP CC(=O)N1CCC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001169616645 1079353613 /nfs/dbraw/zinc/35/36/13/1079353613.db2.gz LSLPBCQAPNLJDD-HSZRJFAPSA-N 2 1 412.578 2.054 20 0 HEADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)CC1 ZINC001169694769 1079375272 /nfs/dbraw/zinc/37/52/72/1079375272.db2.gz SOWBRYABHRPUPQ-ANULTFPQSA-N 2 1 418.586 2.462 20 0 HEADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)CC1 ZINC001169694769 1079375282 /nfs/dbraw/zinc/37/52/82/1079375282.db2.gz SOWBRYABHRPUPQ-ANULTFPQSA-N 2 1 418.586 2.462 20 0 HEADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)CC1 ZINC001169694769 1079375287 /nfs/dbraw/zinc/37/52/87/1079375287.db2.gz SOWBRYABHRPUPQ-ANULTFPQSA-N 2 1 418.586 2.462 20 0 HEADMP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 ZINC000738072243 1075958010 /nfs/dbraw/zinc/95/80/10/1075958010.db2.gz XOSZSZHDDRZXGX-UHFFFAOYSA-N 2 1 420.579 2.483 20 0 HEADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 ZINC000738072243 1075958013 /nfs/dbraw/zinc/95/80/13/1075958013.db2.gz XOSZSZHDDRZXGX-UHFFFAOYSA-N 2 1 420.579 2.483 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1=O ZINC000738515886 1075998853 /nfs/dbraw/zinc/99/88/53/1075998853.db2.gz CNFYSWKPFVRAQM-LEWJYISDSA-N 2 1 400.567 2.039 20 0 HEADMP C(CC[N@H+]1CCCN(C[C@H]2CCCO2)CC1)CN1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000740878476 1076279239 /nfs/dbraw/zinc/27/92/39/1076279239.db2.gz IAQFIMZSEPEZRX-DNQXCXABSA-N 2 1 422.658 2.140 20 0 HEADMP C(CC[NH+]1CCCN(C[C@H]2CCCO2)CC1)CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000740878476 1076279248 /nfs/dbraw/zinc/27/92/48/1076279248.db2.gz IAQFIMZSEPEZRX-DNQXCXABSA-N 2 1 422.658 2.140 20 0 HEADMP C(CC[NH+]1CCCN(C[C@H]2CCCO2)CC1)CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000740878476 1076279253 /nfs/dbraw/zinc/27/92/53/1076279253.db2.gz IAQFIMZSEPEZRX-DNQXCXABSA-N 2 1 422.658 2.140 20 0 HEADMP C(CC[N@@H+]1CCCN(C[C@H]2CCCO2)CC1)C[NH+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000740878476 1076279259 /nfs/dbraw/zinc/27/92/59/1076279259.db2.gz IAQFIMZSEPEZRX-DNQXCXABSA-N 2 1 422.658 2.140 20 0 HEADMP C(CC[N@H+]1CCCN(C[C@H]2CCCO2)CC1)C[NH+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000740878476 1076279266 /nfs/dbraw/zinc/27/92/66/1076279266.db2.gz IAQFIMZSEPEZRX-DNQXCXABSA-N 2 1 422.658 2.140 20 0 HEADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000745362815 1077814981 /nfs/dbraw/zinc/81/49/81/1077814981.db2.gz UAMCYKWAISBEDB-OAQYLSRUSA-N 2 1 415.582 2.371 20 0 HEADMP COC(=O)/C=C/c1ccc(OCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000767330749 1079808140 /nfs/dbraw/zinc/80/81/40/1079808140.db2.gz IJPNBHHDKGREBW-HUOGQDQXSA-N 2 1 401.551 2.209 20 0 HEADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)C2=O ZINC000767503051 1079894268 /nfs/dbraw/zinc/89/42/68/1079894268.db2.gz WRRNGYIYCRETTD-HNNXBMFYSA-N 2 1 410.440 2.468 20 0 HEADMP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)C2=O ZINC000767503051 1079894272 /nfs/dbraw/zinc/89/42/72/1079894272.db2.gz WRRNGYIYCRETTD-HNNXBMFYSA-N 2 1 410.440 2.468 20 0 HEADMP CSC[C@H]1CCC[N@@H+]1CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000767769606 1080077733 /nfs/dbraw/zinc/07/77/33/1080077733.db2.gz BJGUCNSSVNAUBN-WIYYLYMNSA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@H]1CCC[N@H+]1CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O ZINC000767769606 1080077740 /nfs/dbraw/zinc/07/77/40/1080077740.db2.gz BJGUCNSSVNAUBN-WIYYLYMNSA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@H]1CCC[NH+]1CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000767769606 1080077749 /nfs/dbraw/zinc/07/77/49/1080077749.db2.gz BJGUCNSSVNAUBN-WIYYLYMNSA-N 2 1 402.564 2.358 20 0 HEADMP CSC[C@H]1CCC[NH+]1CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000767769606 1080077758 /nfs/dbraw/zinc/07/77/58/1080077758.db2.gz BJGUCNSSVNAUBN-WIYYLYMNSA-N 2 1 402.564 2.358 20 0 HEADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000767937456 1080231143 /nfs/dbraw/zinc/23/11/43/1080231143.db2.gz INBTZCPQGKBLEL-PMACEKPBSA-N 2 1 412.538 2.143 20 0 HEADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)o1 ZINC000769153589 1080972395 /nfs/dbraw/zinc/97/23/95/1080972395.db2.gz XPQXSYPGMBWBEX-UHFFFAOYSA-N 2 1 422.570 2.467 20 0 HEADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001164401771 718853983 /nfs/dbraw/zinc/85/39/83/718853983.db2.gz CXWSLQNYJOECHR-AOMKIAJQSA-N 2 1 409.559 2.438 20 0 HEADMP CCOC(=O)c1cnc(SC)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683227 719603905 /nfs/dbraw/zinc/60/39/05/719603905.db2.gz HWWLRAUYOHWBBH-UHFFFAOYSA-N 2 1 404.540 2.047 20 0 HEADMP CCOC(=O)c1cnc(SC)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164683227 719603922 /nfs/dbraw/zinc/60/39/22/719603922.db2.gz HWWLRAUYOHWBBH-UHFFFAOYSA-N 2 1 404.540 2.047 20 0 HEADMP CCOC(=O)c1nc2ccccc2c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682302 719604776 /nfs/dbraw/zinc/60/47/76/719604776.db2.gz CGXCFCRLPBGZAT-UHFFFAOYSA-N 2 1 408.506 2.478 20 0 HEADMP CCOC(=O)c1nc2ccccc2c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682302 719604781 /nfs/dbraw/zinc/60/47/81/719604781.db2.gz CGXCFCRLPBGZAT-UHFFFAOYSA-N 2 1 408.506 2.478 20 0 HEADMP CCc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc(N2CCOCC2)[nH+]1 ZINC001164811752 720141465 /nfs/dbraw/zinc/14/14/65/720141465.db2.gz NECARCXXWDAMPN-AUSIDOKSSA-N 2 1 415.582 2.060 20 0 HEADMP CCc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)nc(N2CCOCC2)[nH+]1 ZINC001164811752 720141466 /nfs/dbraw/zinc/14/14/66/720141466.db2.gz NECARCXXWDAMPN-AUSIDOKSSA-N 2 1 415.582 2.060 20 0 HEADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C[NH+](C)C3CC3)cn1)CCC2 ZINC001164814503 720240843 /nfs/dbraw/zinc/24/08/43/720240843.db2.gz VZOPIVQMMKXNFJ-UHFFFAOYSA-N 2 1 410.566 2.483 20 0 HEADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C[N@H+](C)C3CC3)cn1)CCC2 ZINC001164814503 720240849 /nfs/dbraw/zinc/24/08/49/720240849.db2.gz VZOPIVQMMKXNFJ-UHFFFAOYSA-N 2 1 410.566 2.483 20 0 HEADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)CCC2 ZINC001164814503 720240856 /nfs/dbraw/zinc/24/08/56/720240856.db2.gz VZOPIVQMMKXNFJ-UHFFFAOYSA-N 2 1 410.566 2.483 20 0 HEADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@@H]21 ZINC001164834735 720508421 /nfs/dbraw/zinc/50/84/21/720508421.db2.gz HKDKMUGPOSUDTP-BXWFABGCSA-N 2 1 415.973 2.350 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836521 720517976 /nfs/dbraw/zinc/51/79/76/720517976.db2.gz MVWNZFXOKNFVQK-JTDSTZFVSA-N 2 1 415.973 2.350 20 0 HEADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839555 720566916 /nfs/dbraw/zinc/56/69/16/720566916.db2.gz QMRVPSRSVSAULE-BHIFYINESA-N 2 1 423.609 2.408 20 0 HEADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164844524 720695349 /nfs/dbraw/zinc/69/53/49/720695349.db2.gz SRCRHCOXIODOGD-OAQYLSRUSA-N 2 1 422.577 2.146 20 0 HEADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)C3)O2)CC1 ZINC001164896762 721439581 /nfs/dbraw/zinc/43/95/81/721439581.db2.gz RZBLRZMJTJAQDQ-ISKFKSNPSA-N 2 1 413.610 2.441 20 0 HEADMP C[N@H+](Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1)C1CC1 ZINC001164896762 721439583 /nfs/dbraw/zinc/43/95/83/721439583.db2.gz RZBLRZMJTJAQDQ-ISKFKSNPSA-N 2 1 413.610 2.441 20 0 HEADMP C[N@@H+](Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1)C1CC1 ZINC001164896762 721439585 /nfs/dbraw/zinc/43/95/85/721439585.db2.gz RZBLRZMJTJAQDQ-ISKFKSNPSA-N 2 1 413.610 2.441 20 0 HEADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164789437 721452560 /nfs/dbraw/zinc/45/25/60/721452560.db2.gz WEAHWYKUFMMILU-OAQYLSRUSA-N 2 1 414.594 2.461 20 0 HEADMP C[NH+](C)[C@H]1CCCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)C1 ZINC001165036496 721893991 /nfs/dbraw/zinc/89/39/91/721893991.db2.gz RVNZSZMCNWEHHZ-ROUUACIJSA-N 2 1 417.598 2.411 20 0 HEADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3C2)c1 ZINC001164984587 722133121 /nfs/dbraw/zinc/13/31/21/722133121.db2.gz XJCSHWTVYXMBNM-LEWJYISDSA-N 2 1 409.534 2.041 20 0 HEADMP